PubChemLite - Cgmp (C10H12N5O7P)

Structural Information

Molecular Formula

SMILES

C1[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C3N=C(NC4=O)N)O)OP(=O)(O1)O

InChI

InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1

InChIKey

ZOOGRGPOEVQQDX-UUOKFMHZSA-N

Compound name

9-[(4aR,6R,7R,7aS)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-amino-1H-purin-6-one

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]+	346.05470	173.1
[M+Na]+	368.03664	182.0
[M+NH4]+	363.08124	177.0
[M+K]+	384.01058	184.5
[M-H]-	344.04014	174.7
[M+Na-2H]-	366.02209	171.8
[M]+	345.04687	174.2
[M]-	345.04797	174.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

346.05470

173.1

[M+Na]+

368.03664

182.0

[M+NH4]+

363.08124

177.0

[M+K]+

384.01058

184.5

[M-H]-

344.04014

174.7

[M+Na-2H]-

366.02209

171.8

[M]+

345.04687

174.2

[M]-

345.04797

174.2

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

Cgmp

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe