CID 28567

O-cymene-4-carboxylic acid, 5-hydroxy-

Structural Information

Molecular Formula
C11H14O3
SMILES
CC1=CC(=C(C=C1C(C)C)C(=O)O)O
InChI
InChI=1S/C11H14O3/c1-6(2)8-5-9(11(13)14)10(12)4-7(8)3/h4-6,12H,1-3H3,(H,13,14)
InChIKey
WWWWTUNQOKAKHX-UHFFFAOYSA-N
Compound name
2-hydroxy-4-methyl-5-propan-2-ylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
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 140.6
[M+Na]+ 217.08352 148.8
[M-H]- 193.08702 142.3
[M+NH4]+ 212.12812 159.3
[M+K]+ 233.05746 146.7
[M+H-H2O]+ 177.09156 135.7
[M+HCOO]- 239.09250 160.4
[M+CH3COO]- 253.10815 182.7
[M+Na-2H]- 215.06897 142.3
[M]+ 194.09375 141.1
[M]- 194.09485 141.1
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