CID 23378291

46207-82-3

Structural Information

Molecular Formula
C10H12O3
SMILES
CC(CC1=CC(=CC=C1)O)C(=O)O
InChI
InChI=1S/C10H12O3/c1-7(10(12)13)5-8-3-2-4-9(11)6-8/h2-4,6-7,11H,5H2,1H3,(H,12,13)
InChIKey
ZTHRBJCNTAYZRE-UHFFFAOYSA-N
Compound name
3-(3-hydroxyphenyl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

32
Patents

180.07864 Da
Monoisotopic Mass

1.9
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

literature stripe

Patent stripe

patents stripe