CID 186

Acetylphosphate

Structural Information

Molecular Formula
C2H5O5P
SMILES
CC(=O)OP(=O)(O)O
InChI
InChI=1S/C2H5O5P/c1-2(3)7-8(4,5)6/h1H3,(H2,4,5,6)
InChIKey
LIPOUNRJVLNBCD-UHFFFAOYSA-N
Compound name
phosphono acetate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

466
References

7780
Patents

139.98746 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.99474 124.4
[M+Na]+ 162.97668 132.6
[M-H]- 138.98018 121.5
[M+NH4]+ 158.02128 145.2
[M+K]+ 178.95062 133.4
[M+H-H2O]+ 122.98472 118.8
[M+HCOO]- 184.98566 150.6
[M+CH3COO]- 199.00131 165.4
[M+Na-2H]- 160.96213 128.7
[M]+ 139.98691 126.6
[M]- 139.98801 126.6
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