PubChemLite - 2'-deoxyguanosine 5'-monophosphate (C10H14N5O7P)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1

InChIKey

LTFMZDNNPPEQNG-KVQBGUIXSA-N

Compound name

[(2R,3S,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen 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]+	348.07036	172.4
[M+Na]+	370.05230	178.8
[M+NH4]+	365.09690	173.3
[M+K]+	386.02624	184.4
[M-H]-	346.05580	169.4
[M+Na-2H]-	368.03775	171.1
[M]+	347.06253	171.5
[M]-	347.06363	171.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

348.07036

172.4

[M+Na]+

370.05230

178.8

[M+NH4]+

365.09690

173.3

[M+K]+

386.02624

184.4

[M-H]-

346.05580

169.4

[M+Na-2H]-

368.03775

171.1

[M]+

347.06253

171.5

[M]-

347.06363

171.5

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

2'-deoxyguanosine 5'-monophosphate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe