CID 637541

(2e)-3-(3-hydroxyphenyl)acrylic acid

Structural Information

Molecular Formula
C9H8O3
SMILES
C1=CC(=CC(=C1)O)/C=C/C(=O)O
InChI
InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+
InChIKey
KKSDGJDHHZEWEP-SNAWJCMRSA-N
Compound name
(E)-3-(3-hydroxyphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

28
References

2516
Patents

164.04735 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.05463 131.9
[M+Na]+ 187.03657 139.8
[M-H]- 163.04007 133.2
[M+NH4]+ 182.08117 151.3
[M+K]+ 203.01051 136.9
[M+H-H2O]+ 147.04461 126.9
[M+HCOO]- 209.04555 153.6
[M+CH3COO]- 223.06120 171.7
[M+Na-2H]- 185.02202 137.3
[M]+ 164.04680 130.7
[M]- 164.04790 130.7
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