CID 11616134

[(2z)-2-[2-(6-aminopurin-9-yl)ethylidene]cyclopropyl]phosphonic acid

Structural Information

Molecular Formula
C10H12N5O3P
SMILES
C\1C(/C1=C\CN2C=NC3=C(N=CN=C32)N)P(=O)(O)O
InChI
InChI=1S/C10H12N5O3P/c11-9-8-10(13-4-12-9)15(5-14-8)2-1-6-3-7(6)19(16,17)18/h1,4-5,7H,2-3H2,(H2,11,12,13)(H2,16,17,18)/b6-1-
InChIKey
SRYHVFBEMZSYGH-BHQIHCQQSA-N
Compound name
[(2Z)-2-[2-(6-aminopurin-9-yl)ethylidene]cyclopropyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

281.06778 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.07506 172.7
[M+Na]+ 304.05700 184.1
[M-H]- 280.06050 172.6
[M+NH4]+ 299.10160 180.2
[M+K]+ 320.03094 176.9
[M+H-H2O]+ 264.06504 162.8
[M+HCOO]- 326.06598 195.0
[M+CH3COO]- 340.08163 198.3
[M+Na-2H]- 302.04245 174.3
[M]+ 281.06723 175.3
[M]- 281.06833 175.3
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.