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]+ 211.09648 144.6
[M+Na]+ 233.07842 151.7
[M-H]- 209.08192 145.9
[M+NH4]+ 228.12302 162.2
[M+K]+ 249.05236 150.2
[M+H-H2O]+ 193.08646 139.1
[M+HCOO]- 255.08740 164.6
[M+CH3COO]- 269.10305 183.6
[M+Na-2H]- 231.06387 146.9
[M]+ 210.08865 146.1
[M]- 210.08975 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.