CID 135414381

[(2z)-2-[2-(2-amino-6-oxo-1h-purin-9-yl)ethylidene]cyclopropyl]phosphonic acid

Structural Information

Molecular Formula
C10H12N5O4P
SMILES
C\1C(/C1=C\CN2C=NC3=C2N=C(NC3=O)N)P(=O)(O)O
InChI
InChI=1S/C10H12N5O4P/c11-10-13-8-7(9(16)14-10)12-4-15(8)2-1-5-3-6(5)20(17,18)19/h1,4,6H,2-3H2,(H2,17,18,19)(H3,11,13,14,16)/b5-1-
InChIKey
OYHTXNURGGPMAC-KTAJNNJTSA-N
Compound name
[(2Z)-2-[2-(2-amino-6-oxo-1H-purin-9-yl)ethylidene]cyclopropyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.06268 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.06996 175.2
[M+Na]+ 320.05190 186.9
[M-H]- 296.05540 174.3
[M+NH4]+ 315.09650 181.5
[M+K]+ 336.02584 178.8
[M+H-H2O]+ 280.05994 165.9
[M+HCOO]- 342.06088 196.3
[M+CH3COO]- 356.07653 199.1
[M+Na-2H]- 318.03735 175.9
[M]+ 297.06213 177.2
[M]- 297.06323 177.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.