CID 51346762

2-[3-(carboxylatocarbonyl)phenyl]propanoate

Structural Information

Molecular Formula
C11H10O5
SMILES
CC(C1=CC(=CC=C1)C(=O)C(=O)O)C(=O)O
InChI
InChI=1S/C11H10O5/c1-6(10(13)14)7-3-2-4-8(5-7)9(12)11(15)16/h2-6H,1H3,(H,13,14)(H,15,16)
InChIKey
MNPFNKKPERLDHD-UHFFFAOYSA-N
Compound name
2-(3-oxalophenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

222.05283 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.06011 144.7
[M+Na]+ 245.04205 150.8
[M-H]- 221.04555 145.8
[M+NH4]+ 240.08665 161.1
[M+K]+ 261.01599 149.7
[M+H-H2O]+ 205.05009 139.2
[M+HCOO]- 267.05103 163.3
[M+CH3COO]- 281.06668 184.8
[M+Na-2H]- 243.02750 145.4
[M]+ 222.05228 144.6
[M]- 222.05338 144.6
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

No patent data available for this compound.