CID 6475436

[2-(6-amino-purin-9-yl)-vinyl]-phosphonic acid

Structural Information

Molecular Formula
C7H8N5O3P
SMILES
C1=NC(=C2C(=N1)N(C=N2)/C=C\P(=O)(O)O)N
InChI
InChI=1S/C7H8N5O3P/c8-6-5-7(10-3-9-6)12(4-11-5)1-2-16(13,14)15/h1-4H,(H2,8,9,10)(H2,13,14,15)/b2-1-
InChIKey
WWEHBLVPFBAMNE-UPHRSURJSA-N
Compound name
[(Z)-2-(6-aminopurin-9-yl)ethenyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.03647 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.04375 152.1
[M+Na]+ 264.02569 162.1
[M-H]- 240.02919 148.4
[M+NH4]+ 259.07029 165.7
[M+K]+ 279.99963 158.5
[M+H-H2O]+ 224.03373 142.1
[M+HCOO]- 286.03467 175.4
[M+CH3COO]- 300.05032 186.8
[M+Na-2H]- 262.01114 156.6
[M]+ 241.03592 152.4
[M]- 241.03702 152.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.