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

20382
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.