CID 13130

Methyl dihydrogen phosphate

Structural Information

Molecular Formula
CH5O4P
SMILES
COP(=O)(O)O
InChI
InChI=1S/CH5O4P/c1-5-6(2,3)4/h1H3,(H2,2,3,4)
InChIKey
CAAULPUQFIIOTL-UHFFFAOYSA-N
Compound name
methyl dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

151
References

21072
Patents

111.992546 Da
Monoisotopic Mass

-1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.99982 119.2
[M+Na]+ 134.98176 127.8
[M-H]- 110.98527 116.4
[M+NH4]+ 130.02637 141.2
[M+K]+ 150.95570 128.3
[M+H-H2O]+ 94.989806 113.8
[M+HCOO]- 156.99075 146.3
[M+CH3COO]- 171.00640 161.0
[M+Na-2H]- 132.96721 125.0
[M]+ 111.99200 121.0
[M]- 111.99309 121.0
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