CID 19372142

2-[4-(methoxycarbonyl)phenyl]-2-methylpropanoic acid

Structural Information

Molecular Formula
C12H14O4
SMILES
CC(C)(C1=CC=C(C=C1)C(=O)OC)C(=O)O
InChI
InChI=1S/C12H14O4/c1-12(2,11(14)15)9-6-4-8(5-7-9)10(13)16-3/h4-7H,1-3H3,(H,14,15)
InChIKey
GLMTZVOJDOHLCK-UHFFFAOYSA-N
Compound name
2-(4-methoxycarbonylphenyl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

1
Patents

222.0892 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.096476 147.0
[M+Na]+ 245.078418 154.1
[M-H]- 221.081924 149.6
[M+NH4]+ 240.123023 164.7
[M+K]+ 261.052358 153.0
[M+H-H2O]+ 205.086460 141.8
[M+HCOO]- 267.087401 166.9
[M+CH3COO]- 281.103051 186.7
[M+Na-2H]- 243.063866 151.0
[M]+ 222.08865142 149.2
[M]- 222.08974858 149.2
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