CID 75795

(hydroxymethyl)phosphonic acid

Structural Information

Molecular Formula
CH5O4P
SMILES
C(O)P(=O)(O)O
InChI
InChI=1S/CH5O4P/c2-1-6(3,4)5/h2H,1H2,(H2,3,4,5)
InChIKey
GTTBQSNGUYHPNK-UHFFFAOYSA-N
Compound name
hydroxymethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

4
References

3140
Patents

111.992546 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.99982 120.7
[M+Na]+ 134.98176 128.8
[M-H]- 110.98527 116.3
[M+NH4]+ 130.02637 141.9
[M+K]+ 150.95570 128.4
[M+H-H2O]+ 94.989806 115.4
[M+HCOO]- 156.99075 146.1
[M+CH3COO]- 171.00640 158.5
[M+Na-2H]- 132.96721 125.8
[M]+ 111.99200 120.5
[M]- 111.99309 120.5
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.