CID 24972323

3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid

Structural Information

Molecular Formula
C11H14O4
SMILES
CC(CC1=CC(=C(C=C1)O)OC)C(=O)O
InChI
InChI=1S/C11H14O4/c1-7(11(13)14)5-8-3-4-9(12)10(6-8)15-2/h3-4,6-7,12H,5H2,1-2H3,(H,13,14)
InChIKey
XUQXZROVMZNKPO-UHFFFAOYSA-N
Compound name
3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

210.0892 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.096476 144.6
[M+Na]+ 233.078418 151.7
[M-H]- 209.081924 145.9
[M+NH4]+ 228.123023 162.2
[M+K]+ 249.052358 150.2
[M+H-H2O]+ 193.086460 139.1
[M+HCOO]- 255.087401 164.6
[M+CH3COO]- 269.103051 183.6
[M+Na-2H]- 231.063866 146.9
[M]+ 210.08865142 146.1
[M]- 210.08974858 146.1
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