CID 22670774

(2e,4e)-5-(4-hydroxyphenyl)penta-2,4-dienal

Structural Information

Molecular Formula
C11H10O2
SMILES
C1=CC(=CC=C1/C=C/C=C/C=O)O
InChI
InChI=1S/C11H10O2/c12-9-3-1-2-4-10-5-7-11(13)8-6-10/h1-9,13H/b3-1+,4-2+
InChIKey
VXAQSYLNHLSHDY-ZPUQHVIOSA-N
Compound name
(2E,4E)-5-(4-hydroxyphenyl)penta-2,4-dienal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

174.06808 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.075356 135.8
[M+Na]+ 197.057298 144.0
[M-H]- 173.060804 138.2
[M+NH4]+ 192.101903 155.6
[M+K]+ 213.031238 139.9
[M+H-H2O]+ 157.065340 130.5
[M+HCOO]- 219.066281 159.4
[M+CH3COO]- 233.081931 175.9
[M+Na-2H]- 195.042746 141.9
[M]+ 174.06753142 135.6
[M]- 174.06862858 135.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe