CID 449463

3-(2-hydroxyphenyl)-2-methylpropanoic acid

Structural Information

Molecular Formula
C10H12O3
SMILES
CC(CC1=CC=CC=C1O)C(=O)O
InChI
InChI=1S/C10H12O3/c1-7(10(12)13)6-8-4-2-3-5-9(8)11/h2-5,7,11H,6H2,1H3,(H,12,13)
InChIKey
HGNFDPZASRDVLL-UHFFFAOYSA-N
Compound name
3-(2-hydroxyphenyl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

22
Patents

180.07864 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.085916 137.9
[M+Na]+ 203.067858 144.6
[M-H]- 179.071364 139.0
[M+NH4]+ 198.112463 156.5
[M+K]+ 219.041798 142.6
[M+H-H2O]+ 163.075900 132.6
[M+HCOO]- 225.076841 158.0
[M+CH3COO]- 239.092491 177.2
[M+Na-2H]- 201.053306 141.3
[M]+ 180.07809142 137.1
[M]- 180.07918858 137.1
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