CID 77353

1,3-diisopropenylbenzene

Structural Information

Molecular Formula

C₁₂H₁₄

SMILES

CC(=C)C1=CC(=CC=C1)C(=C)C

InChI

InChI=1S/C12H14/c1-9(2)11-6-5-7-12(8-11)10(3)4/h5-8H,1,3H2,2,4H3

InChIKey

IBVPVTPPYGGAEL-UHFFFAOYSA-N

Compound name

1,3-bis(prop-1-en-2-yl)benzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 6125
Patents: 158.10954 Da
Monoisotopic Mass: 4.9
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]+	159.11682	136.2
[M+Na]+	181.09876	149.4
[M+NH4]+	176.14336	145.3
[M+K]+	197.07270	142.2
[M-H]-	157.10226	138.8
[M+Na-2H]-	179.08421	143.1
[M]+	158.10899	138.8
[M]-	158.11009	138.8

Literature stripe

literature stripe

Patent stripe

patents stripe