Guanosine 5'-diphosphate (C10H15N5O11P2)

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)O)O)N=C(NC2=O)N

InChI

InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1

InChIKey

QGWNDRXFNXRZMB-UUOKFMHZSA-N

Compound name

[(2R,3S,4R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-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]+	444.031596	190.6
[M+Na]+	466.013538	194.9
[M-H]-	442.017044	183.4
[M+NH4]+	461.058143	189.9
[M+K]+	481.987478	192.9
[M+H-H2O]+	426.021580	175.9
[M+HCOO]-	488.022521	192.7
[M+CH3COO]-	502.038171	218.7
[M+Na-2H]-	463.998986	185.2
[M]+	443.02377142	184.4
[M]-	443.02486858	184.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

444.031596

190.6

[M+Na]+

466.013538

194.9

[M-H]-

442.017044

183.4

[M+NH4]+

461.058143

189.9

[M+K]+

481.987478

192.9

[M+H-H2O]+

426.021580

175.9

[M+HCOO]-

488.022521

192.7

[M+CH3COO]-

502.038171

218.7

[M+Na-2H]-

463.998986

185.2

[M]+

443.02377142

184.4

[M]-

443.02486858

184.4

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

Guanosine 5'-diphosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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