CID 562563

2-phenyl-4-pentenal

Structural Information

Molecular Formula
C11H12O
SMILES
C=CCC(C=O)C1=CC=CC=C1
InChI
InChI=1S/C11H12O/c1-2-6-11(9-12)10-7-4-3-5-8-10/h2-5,7-9,11H,1,6H2
InChIKey
PBWQZEMADHTUIF-UHFFFAOYSA-N
Compound name
2-phenylpent-4-enal
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

211
Patents

160.08882 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.09610 135.3
[M+Na]+ 183.07804 148.2
[M+NH4]+ 178.12264 144.0
[M+K]+ 199.05198 140.7
[M-H]- 159.08154 137.5
[M+Na-2H]- 181.06349 142.6
[M]+ 160.08827 137.7
[M]- 160.08937 137.7
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