CID 135482174

441785-24-6

Structural Information

Molecular Formula

C₁₀H₁₄N₅O₅P

SMILES

C1CC1(CN2C=NC3=C2N=C(NC3=O)N)OCP(=O)(O)O

InChI

InChI=1S/C10H14N5O5P/c11-9-13-7-6(8(16)14-9)12-4-15(7)3-10(1-2-10)20-5-21(17,18)19/h4H,1-3,5H2,(H2,17,18,19)(H3,11,13,14,16)

InChIKey

IMAMTECZRBMXGW-UHFFFAOYSA-N

Compound name

[1-[(2-amino-6-oxo-1H-purin-9-yl)methyl]cyclopropyl]oxymethylphosphonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 15
Patents: 315.07324 Da
Monoisotopic Mass: -2.7
XlogP (predicted)

Profile

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]+	316.08052	176.8
[M+Na]+	338.06246	187.8
[M-H]-	314.06596	175.8
[M+NH4]+	333.10706	184.0
[M+K]+	354.03640	182.0
[M+H-H2O]+	298.07050	168.2
[M+HCOO]-	360.07144	197.6
[M+CH3COO]-	374.08709	201.0
[M+Na-2H]-	336.04791	180.1
[M]+	315.07269	181.0
[M]-	315.07379	181.0

Literature stripe

literature stripe

Patent stripe

patents stripe