CID 13279657

54737-52-9

Structural Information

Molecular Formula
C11H14O5
SMILES
CC(CC1=CC(=C(C=C1)O)OC)(C(=O)O)O
InChI
InChI=1S/C11H14O5/c1-11(15,10(13)14)6-7-3-4-8(12)9(5-7)16-2/h3-5,12,15H,6H2,1-2H3,(H,13,14)
InChIKey
YNNLUYGFVUZDAD-UHFFFAOYSA-N
Compound name
2-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

226.08412 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.09140 147.7
[M+Na]+ 249.07334 154.8
[M-H]- 225.07684 147.7
[M+NH4]+ 244.11794 163.9
[M+K]+ 265.04728 153.0
[M+H-H2O]+ 209.08138 142.7
[M+HCOO]- 271.08232 165.7
[M+CH3COO]- 285.09797 182.9
[M+Na-2H]- 247.05879 151.7
[M]+ 226.08357 148.9
[M]- 226.08467 148.9
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.