CID 12730177

(pyridin-2-ylmethyl)phosphonic acid

Structural Information

Molecular Formula
C6H8NO3P
SMILES
C1=CC=NC(=C1)CP(=O)(O)O
InChI
InChI=1S/C6H8NO3P/c8-11(9,10)5-6-3-1-2-4-7-6/h1-4H,5H2,(H2,8,9,10)
InChIKey
WVWCWWLEFNGDBC-UHFFFAOYSA-N
Compound name
pyridin-2-ylmethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

20
Patents

173.02419 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.03147 136.2
[M+Na]+ 196.01341 143.9
[M-H]- 172.01691 134.8
[M+NH4]+ 191.05801 154.1
[M+K]+ 211.98735 142.0
[M+H-H2O]+ 156.02145 128.3
[M+HCOO]- 218.02239 161.7
[M+CH3COO]- 232.03804 172.2
[M+Na-2H]- 193.99886 141.6
[M]+ 173.02364 136.1
[M]- 173.02474 136.1
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

patents stripe