CID 171517

Phosphoric acid, dimethyl 2-propynyl ester

Structural Information

Molecular Formula
C5H9O4P
SMILES
COP(=O)(OC)OCC#C
InChI
InChI=1S/C5H9O4P/c1-4-5-9-10(6,7-2)8-3/h1H,5H2,2-3H3
InChIKey
QUXVOPRUXVTIAY-UHFFFAOYSA-N
Compound name
dimethyl prop-2-ynyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

164.02385 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.03113 125.8
[M+Na]+ 187.01307 135.9
[M-H]- 163.01657 125.0
[M+NH4]+ 182.05767 145.1
[M+K]+ 202.98701 136.4
[M+H-H2O]+ 147.02111 113.9
[M+HCOO]- 209.02205 148.9
[M+CH3COO]- 223.03770 185.5
[M+Na-2H]- 184.99852 130.9
[M]+ 164.02330 126.8
[M]- 164.02440 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

No literature data available for this compound.

Patent stripe

patents stripe