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

11
Patents

174.06808 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.07536 135.8
[M+Na]+ 197.05730 144.0
[M-H]- 173.06080 138.2
[M+NH4]+ 192.10190 155.6
[M+K]+ 213.03124 139.9
[M+H-H2O]+ 157.06534 130.5
[M+HCOO]- 219.06628 159.4
[M+CH3COO]- 233.08193 175.9
[M+Na-2H]- 195.04275 141.9
[M]+ 174.06753 135.6
[M]- 174.06863 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