CID 8167118

3-(2-hydroxypropan-2-yl)benzoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

151
Patents

180.07864 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08592 138.0
[M+Na]+ 203.06786 149.0
[M+NH4]+ 198.11246 145.0
[M+K]+ 219.04180 145.1
[M-H]- 179.07136 137.8
[M+Na-2H]- 201.05331 143.2
[M]+ 180.07809 139.4
[M]- 180.07919 139.4
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