CID 5370692

Ethyl trans-2-hydroxycinnamate

Structural Information

Molecular Formula
C11H12O3
SMILES
CCOC(=O)/C=C/C1=CC=CC=C1O
InChI
InChI=1S/C11H12O3/c1-2-14-11(13)8-7-9-5-3-4-6-10(9)12/h3-8,12H,2H2,1H3/b8-7+
InChIKey
SRBYHEKXHQYMRN-BQYQJAHWSA-N
Compound name
ethyl (E)-3-(2-hydroxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

192.07864 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.08592 140.7
[M+Na]+ 215.06786 148.2
[M-H]- 191.07136 143.1
[M+NH4]+ 210.11246 159.7
[M+K]+ 231.04180 145.8
[M+H-H2O]+ 175.07590 135.1
[M+HCOO]- 237.07684 163.3
[M+CH3COO]- 251.09249 179.7
[M+Na-2H]- 213.05331 145.5
[M]+ 192.07809 142.0
[M]- 192.07919 142.0
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