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
3
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]+ 223.09648 148.2
[M+Na]+ 245.07842 158.6
[M+NH4]+ 240.12302 154.3
[M+K]+ 261.05236 155.2
[M-H]- 221.08192 147.4
[M+Na-2H]- 243.06387 152.6
[M]+ 222.08865 149.3
[M]- 222.08975 149.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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