CID 7868

Diisobutylene

Structural Information

Molecular Formula

C₈H₁₆

SMILES

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

InChI

InChI=1S/C8H16/c1-7(2)6-8(3,4)5/h1,6H2,2-5H3

InChIKey

FXNDIJDIPNCZQJ-UHFFFAOYSA-N

Compound name

2,4,4-trimethylpent-1-ene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 21
References: 30599
Patents: 112.1252 Da
Monoisotopic Mass: 3.7
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]+	113.13248	126.9
[M+Na]+	135.11442	137.6
[M+NH4]+	130.15902	135.5
[M+K]+	151.08836	132.1
[M-H]-	111.11792	126.6
[M+Na-2H]-	133.09987	131.1
[M]+	112.12465	128.3
[M]-	112.12575	128.3

Literature stripe

literature stripe

Patent stripe

patents stripe