CID 11052

2-hydroxy-3-isopropyl-6-methylbenzoic acid

Structural Information

Molecular Formula
C11H14O3
SMILES
CC1=C(C(=C(C=C1)C(C)C)O)C(=O)O
InChI
InChI=1S/C11H14O3/c1-6(2)8-5-4-7(3)9(10(8)12)11(13)14/h4-6,12H,1-3H3,(H,13,14)
InChIKey
FNWNGQGTFICQJU-UHFFFAOYSA-N
Compound name
2-hydroxy-6-methyl-3-propan-2-ylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

287
Patents

194.0943 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 142.1
[M+Na]+ 217.08352 153.7
[M+NH4]+ 212.12812 149.1
[M+K]+ 233.05746 149.5
[M-H]- 193.08702 142.4
[M+Na-2H]- 215.06897 146.3
[M]+ 194.09375 143.6
[M]- 194.09485 143.6
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