CID 641301

4-hydroxycinnamaldehyde

Structural Information

Molecular Formula
C9H8O2
SMILES
C1=CC(=CC=C1/C=C/C=O)O
InChI
InChI=1S/C9H8O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-7,11H/b2-1+
InChIKey
CJXMVKYNVIGQBS-OWOJBTEDSA-N
Compound name
(E)-3-(4-hydroxyphenyl)prop-2-enal
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

51
References

885
Patents

148.05243 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.059706 127.7
[M+Na]+ 171.041648 136.3
[M-H]- 147.045154 130.4
[M+NH4]+ 166.086253 148.6
[M+K]+ 187.015588 133.4
[M+H-H2O]+ 131.049690 122.7
[M+HCOO]- 193.050631 151.7
[M+CH3COO]- 207.066281 171.4
[M+Na-2H]- 169.027096 134.9
[M]+ 148.05188142 127.6
[M]- 148.05297858 127.6
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