CID 11008054

4-phenyl-2-butenal

Structural Information

Molecular Formula

C₁₀H₁₀O

SMILES

C1=CC=C(C=C1)C/C=C/C=O

InChI

InChI=1S/C10H10O/c11-9-5-4-8-10-6-2-1-3-7-10/h1-7,9H,8H2/b5-4+

InChIKey

WLNLUFZWBZXINT-SNAWJCMRSA-N

Compound name

(E)-4-phenylbut-2-enal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 795
Patents: 146.07317 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	147.08045	130.7
[M+Na]+	169.06239	144.3
[M+NH4]+	164.10699	139.8
[M+K]+	185.03633	136.2
[M-H]-	145.06589	133.2
[M+Na-2H]-	167.04784	138.7
[M]+	146.07262	133.3
[M]-	146.07372	133.3

Literature stripe

literature stripe

Patent stripe

patents stripe