CID 12730175

(pyridin-4-ylmethyl)phosphonic acid monohydrate

Structural Information

Molecular Formula
C6H8NO3P
SMILES
C1=CN=CC=C1CP(=O)(O)O
InChI
InChI=1S/C6H8NO3P/c8-11(9,10)5-6-1-3-7-4-2-6/h1-4H,5H2,(H2,8,9,10)
InChIKey
FMAPICFMLRVVSP-UHFFFAOYSA-N
Compound name
pyridin-4-ylmethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

18
Patents

173.02419 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.03147 134.7
[M+Na]+ 196.01341 145.4
[M+NH4]+ 191.05801 141.0
[M+K]+ 211.98735 141.6
[M-H]- 172.01691 133.4
[M+Na-2H]- 193.99886 139.9
[M]+ 173.02364 135.5
[M]- 173.02474 135.5
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