CID 19980750

859034-02-9

Structural Information

Molecular Formula
C10H12O3
SMILES
CC(C)C1=C(C=CC(=C1)C(=O)O)O
InChI
InChI=1S/C10H12O3/c1-6(2)8-5-7(10(12)13)3-4-9(8)11/h3-6,11H,1-2H3,(H,12,13)
InChIKey
HZRDEPDQYBDIPR-UHFFFAOYSA-N
Compound name
4-hydroxy-3-propan-2-ylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

180.07864 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08592 136.9
[M+Na]+ 203.06786 144.6
[M-H]- 179.07136 138.4
[M+NH4]+ 198.11246 155.9
[M+K]+ 219.04180 142.7
[M+H-H2O]+ 163.07590 132.0
[M+HCOO]- 225.07684 157.0
[M+CH3COO]- 239.09249 178.5
[M+Na-2H]- 201.05331 139.8
[M]+ 180.07809 136.6
[M]- 180.07919 136.6
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