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
7
Annotation Hits

208
References

17620
Patents

126.008194 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.015470 122.6
[M+Na]+ 148.997412 131.2
[M-H]- 125.000918 121.0
[M+NH4]+ 144.042017 144.8
[M+K]+ 164.971352 132.5
[M+H-H2O]+ 109.005454 116.8
[M+HCOO]- 171.006395 150.9
[M+CH3COO]- 185.022045 166.7
[M+Na-2H]- 146.982860 128.5
[M]+ 126.00764542 126.8
[M]- 126.00874258 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