CID 14868260

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

Structural Information

Molecular Formula
C10H12O4
SMILES
COC1=CC=C(C=C1)CC(C(=O)O)O
InChI
InChI=1S/C10H12O4/c1-14-8-4-2-7(3-5-8)6-9(11)10(12)13/h2-5,9,11H,6H2,1H3,(H,12,13)
InChIKey
GEDLJGYFEOYKEG-UHFFFAOYSA-N
Compound name
2-hydroxy-3-(4-methoxyphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

95
Patents

196.07356 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08084 140.8
[M+Na]+ 219.06278 147.4
[M-H]- 195.06628 141.8
[M+NH4]+ 214.10738 158.6
[M+K]+ 235.03672 146.0
[M+H-H2O]+ 179.07082 135.2
[M+HCOO]- 241.07176 161.1
[M+CH3COO]- 255.08741 179.3
[M+Na-2H]- 217.04823 144.3
[M]+ 196.07301 141.4
[M]- 196.07411 141.4
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