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

123
Patents

180.07864 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.085916 136.9
[M+Na]+ 203.067858 144.6
[M-H]- 179.071364 138.4
[M+NH4]+ 198.112463 155.9
[M+K]+ 219.041798 142.7
[M+H-H2O]+ 163.075900 132.0
[M+HCOO]- 225.076841 157.0
[M+CH3COO]- 239.092491 178.5
[M+Na-2H]- 201.053306 139.8
[M]+ 180.07809142 136.6
[M]- 180.07918858 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