CID 5463156

(e)-3-(2-hydroxy-3-methoxyphenyl)acrylic acid

Structural Information

Molecular Formula
C10H10O4
SMILES
COC1=CC=CC(=C1O)/C=C/C(=O)O
InChI
InChI=1S/C10H10O4/c1-14-8-4-2-3-7(10(8)13)5-6-9(11)12/h2-6,13H,1H3,(H,11,12)/b6-5+
InChIKey
VZFPHVWLPRCAGD-AATRIKPKSA-N
Compound name
(E)-3-(2-hydroxy-3-methoxyphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

43
Patents

194.0579 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.065176 138.7
[M+Na]+ 217.047118 146.9
[M-H]- 193.050624 140.2
[M+NH4]+ 212.091723 157.1
[M+K]+ 233.021058 144.4
[M+H-H2O]+ 177.055160 133.4
[M+HCOO]- 239.056101 160.3
[M+CH3COO]- 253.071751 178.1
[M+Na-2H]- 215.032566 142.9
[M]+ 194.05735142 139.7
[M]- 194.05844858 139.7
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