CID 1034

Propanoyl phosphate

Structural Information

Molecular Formula
C3H7O5P
SMILES
CCC(=O)OP(=O)(O)O
InChI
InChI=1S/C3H7O5P/c1-2-3(4)8-9(5,6)7/h2H2,1H3,(H2,5,6,7)
InChIKey
FMNMEQSRDWIBFO-UHFFFAOYSA-N
Compound name
phosphono propanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

306
Patents

154.00311 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.01039 129.3
[M+Na]+ 176.99233 136.7
[M+NH4]+ 172.03693 134.1
[M+K]+ 192.96627 135.5
[M-H]- 152.99583 124.5
[M+Na-2H]- 174.97778 129.9
[M]+ 154.00256 128.4
[M]- 154.00366 128.4
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