CID 20572731

2-(2,3-dimethylphenyl)acetic acid

Structural Information

Molecular Formula
C10H12O2
SMILES
CC1=C(C(=CC=C1)CC(=O)O)C
InChI
InChI=1S/C10H12O2/c1-7-4-3-5-9(8(7)2)6-10(11)12/h3-5H,6H2,1-2H3,(H,11,12)
InChIKey
AMPNBNGNPLXMOP-UHFFFAOYSA-N
Compound name
2-(2,3-dimethylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

290
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 132.9
[M+Na]+ 187.07294 141.4
[M-H]- 163.07644 135.8
[M+NH4]+ 182.11754 153.4
[M+K]+ 203.04688 139.4
[M+H-H2O]+ 147.08098 127.9
[M+HCOO]- 209.08192 155.4
[M+CH3COO]- 223.09757 178.0
[M+Na-2H]- 185.05839 137.6
[M]+ 164.08317 133.7
[M]- 164.08427 133.7
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