CID 5356732

1-phenyl-2-butene

Structural Information

Molecular Formula

C₁₀H₁₂

SMILES

C/C=C/CC1=CC=CC=C1

InChI

InChI=1S/C10H12/c1-2-3-7-10-8-5-4-6-9-10/h2-6,8-9H,7H2,1H3/b3-2+

InChIKey

VUKHQPGJNTXTPY-NSCUHMNNSA-N

Compound name

[(E)-but-2-enyl]benzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1473
Patents: 132.0939 Da
Monoisotopic Mass: 3.5
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]+	133.10118	126.8
[M+Na]+	155.08312	134.2
[M-H]-	131.08662	130.3
[M+NH4]+	150.12772	148.9
[M+K]+	171.05706	131.7
[M+H-H2O]+	115.09116	121.5
[M+HCOO]-	177.09210	151.3
[M+CH3COO]-	191.10775	173.0
[M+Na-2H]-	153.06857	134.8
[M]+	132.09335	126.4
[M]-	132.09445	126.4

Literature stripe

literature stripe

Patent stripe

patents stripe