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

8
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

literature stripe

Patent stripe

patents stripe