CID 1034

Propanoyl phosphate

Structural Information

Molecular Formula

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: 454
Patents: 154.00311 Da
Monoisotopic Mass: -1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	155.010386	129.2
[M+Na]+	176.992328	137.0
[M-H]-	152.995834	126.2
[M+NH4]+	172.036933	149.5
[M+K]+	192.966268	137.5
[M+H-H2O]+	137.000370	123.4
[M+HCOO]-	199.001311	155.1
[M+CH3COO]-	213.016961	168.5
[M+Na-2H]-	174.977776	133.0
[M]+	154.00256142	131.8
[M]-	154.00365858	131.8

Literature stripe

literature stripe

Patent stripe

patents stripe