CID 13134

Dimethyl hydrogen phosphate

Structural Information

Molecular Formula
C2H7O4P
SMILES
COP(=O)(O)OC
InChI
InChI=1S/C2H7O4P/c1-5-7(3,4)6-2/h1-2H3,(H,3,4)
InChIKey
KKUKTXOBAWVSHC-UHFFFAOYSA-N
Compound name
dimethyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

207
References

16676
Patents

126.008194 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.01547 122.6
[M+Na]+ 148.99741 131.2
[M-H]- 125.00092 121.0
[M+NH4]+ 144.04202 144.8
[M+K]+ 164.97135 132.5
[M+H-H2O]+ 109.00545 116.8
[M+HCOO]- 171.00640 150.9
[M+CH3COO]- 185.02204 166.7
[M+Na-2H]- 146.98286 128.5
[M]+ 126.00765 126.8
[M]- 126.00874 126.8
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