CID 10194

2,4,6-trimethylbenzoic acid

Structural Information

Molecular Formula
C10H12O2
SMILES
CC1=CC(=C(C(=C1)C)C(=O)O)C
InChI
InChI=1S/C10H12O2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3,(H,11,12)
InChIKey
FFFIRKXTFQCCKJ-UHFFFAOYSA-N
Compound name
2,4,6-trimethylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

9333
Patents

164.08372 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.09100 133.8
[M+Na]+ 187.07294 147.0
[M+NH4]+ 182.11754 142.0
[M+K]+ 203.04688 141.3
[M-H]- 163.07644 135.4
[M+Na-2H]- 185.05839 139.8
[M]+ 164.08317 136.1
[M]- 164.08427 136.1
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