CID 10398133

81329-74-0

Structural Information

Molecular Formula
C11H12O4
SMILES
COC(=O)C1=CC=CC=C1CCC(=O)O
InChI
InChI=1S/C11H12O4/c1-15-11(14)9-5-3-2-4-8(9)6-7-10(12)13/h2-5H,6-7H2,1H3,(H,12,13)
InChIKey
RRQCXVACIPBWHE-UHFFFAOYSA-N
Compound name
3-(2-methoxycarbonylphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

208.07356 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.08084 143.5
[M+Na]+ 231.06278 150.5
[M-H]- 207.06628 145.9
[M+NH4]+ 226.10738 161.6
[M+K]+ 247.03672 149.1
[M+H-H2O]+ 191.07082 137.6
[M+HCOO]- 253.07176 165.2
[M+CH3COO]- 267.08741 183.3
[M+Na-2H]- 229.04823 147.0
[M]+ 208.07301 145.7
[M]- 208.07411 145.7
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