CID 30938

3-(2-methylphenyl)propionic acid

Structural Information

Molecular Formula
C10H12O2
SMILES
CC1=CC=CC=C1CCC(=O)O
InChI
InChI=1S/C10H12O2/c1-8-4-2-3-5-9(8)6-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
InChIKey
JIRKNEAMPYVPTD-UHFFFAOYSA-N
Compound name
3-(2-methylphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

486
Patents

164.08372 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 134.6
[M+Na]+ 187.07294 147.1
[M+NH4]+ 182.11754 142.9
[M+K]+ 203.04688 141.0
[M-H]- 163.07644 136.1
[M+Na-2H]- 185.05839 141.0
[M]+ 164.08317 136.7
[M]- 164.08427 136.7
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