CID 3593832

2-(2-methylphenyl)propanoic acid

Structural Information

Molecular Formula
C10H12O2
SMILES
CC1=CC=CC=C1C(C)C(=O)O
InChI
InChI=1S/C10H12O2/c1-7-5-3-4-6-9(7)8(2)10(11)12/h3-6,8H,1-2H3,(H,11,12)
InChIKey
MQHULLOCAJMXJU-UHFFFAOYSA-N
Compound name
2-(2-methylphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

284
Patents

164.08372 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 133.8
[M+Na]+ 187.07294 141.1
[M-H]- 163.07644 136.4
[M+NH4]+ 182.11754 153.9
[M+K]+ 203.04688 139.5
[M+H-H2O]+ 147.08098 128.7
[M+HCOO]- 209.08192 155.3
[M+CH3COO]- 223.09757 177.7
[M+Na-2H]- 185.05839 137.9
[M]+ 164.08317 133.6
[M]- 164.08427 133.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe