CID 11210

3,3-dimethyl-1-butene

Structural Information

Molecular Formula

C₆H₁₂

SMILES

CC(C)(C)C=C

InChI

InChI=1S/C6H12/c1-5-6(2,3)4/h5H,1H2,2-4H3

InChIKey

PKXHXOTZMFCXSH-UHFFFAOYSA-N

Compound name

3,3-dimethylbut-1-ene

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 28
References: 14672
Patents: 84.0939 Da
Monoisotopic Mass: 2.7
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]+	85.101176	117.8
[M+Na]+	107.08312	129.2
[M+NH4]+	102.12772	126.8
[M+K]+	123.05706	123.4
[M-H]-	83.086624	117.7
[M+Na-2H]-	105.06857	122.8
[M]+	84.093351	119.4
[M]-	84.094449	119.4

Literature stripe

literature stripe

Patent stripe

patents stripe