PubChemLite - Guanosine-3'-monophosphate-5'-diphosphate (C10H16N5O14P3)

Structural Information

Molecular Formula

SMILES

C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)O)N=C(NC2=O)N

InChI

InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(28-30(18,19)20)3(27-9)1-26-32(24,25)29-31(21,22)23/h2-3,5-6,9,16H,1H2,(H,24,25)(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1

InChIKey

HEYSFDAMRDTCJM-UUOKFMHZSA-N

Compound name

[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methyl phosphono hydrogen phosphate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	523.99794	197.2
[M+Na]+	545.97988	201.7
[M-H]-	521.98338	191.9
[M+NH4]+	541.02448	196.7
[M+K]+	561.95382	198.8
[M+H-H2O]+	505.98792	183.0
[M+HCOO]-	567.98886	199.4
[M+CH3COO]-	582.00451	231.9
[M+Na-2H]-	543.96533	190.0
[M]+	522.99011	186.4
[M]-	522.99121	186.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

523.99794

197.2

[M+Na]+

545.97988

201.7

[M-H]-

521.98338

191.9

[M+NH4]+

541.02448

196.7

[M+K]+

561.95382

198.8

[M+H-H2O]+

505.98792

183.0

[M+HCOO]-

567.98886

199.4

[M+CH3COO]-

582.00451

231.9

[M+Na-2H]-

543.96533

190.0

[M]+

522.99011

186.4

[M]-

522.99121

186.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Guanosine-3'-monophosphate-5'-diphosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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