PubChemLite - 2'-deoxyguanosine-5'-diphosphate (C10H15N5O10P2)

Structural Information

Molecular Formula

SMILES

C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)COP(=O)(O)OP(=O)(O)O)O

InChI

InChI=1S/C10H15N5O10P2/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(24-6)2-23-27(21,22)25-26(18,19)20/h3-6,16H,1-2H2,(H,21,22)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1

InChIKey

CIKGWCTVFSRMJU-KVQBGUIXSA-N

Compound name

[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-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]+	428.03670	185.3
[M+Na]+	450.01864	189.3
[M-H]-	426.02214	181.2
[M+NH4]+	445.06324	188.8
[M+K]+	465.99258	191.1
[M+H-H2O]+	410.02668	174.0
[M+HCOO]-	472.02762	205.0
[M+CH3COO]-	486.04327	216.1
[M+Na-2H]-	448.00409	185.7
[M]+	427.02887	186.1
[M]-	427.02997	186.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

428.03670

185.3

[M+Na]+

450.01864

189.3

[M-H]-

426.02214

181.2

[M+NH4]+

445.06324

188.8

[M+K]+

465.99258

191.1

[M+H-H2O]+

410.02668

174.0

[M+HCOO]-

472.02762

205.0

[M+CH3COO]-

486.04327

216.1

[M+Na-2H]-

448.00409

185.7

[M]+

427.02887

186.1

[M]-

427.02997

186.1

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

2'-deoxyguanosine-5'-diphosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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