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

3686
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

literature stripe

Patent stripe

patents stripe