CID 114651

2,4-pentadienal, 5-phenyl-

Structural Information

Molecular Formula
C11H10O
SMILES
C1=CC=C(C=C1)C=CC=CC=O
InChI
InChI=1S/C11H10O/c12-10-6-2-5-9-11-7-3-1-4-8-11/h1-10H
InChIKey
UWTZBVTWSKWXMN-UHFFFAOYSA-N
Compound name
5-phenylpenta-2,4-dienal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

465
Patents

158.07317 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.08045 132.4
[M+Na]+ 181.06239 140.1
[M-H]- 157.06589 135.8
[M+NH4]+ 176.10699 153.3
[M+K]+ 197.03633 136.5
[M+H-H2O]+ 141.07043 126.8
[M+HCOO]- 203.07137 157.3
[M+CH3COO]- 217.08702 175.5
[M+Na-2H]- 179.04784 139.8
[M]+ 158.07262 132.3
[M]- 158.07372 132.3
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