CID 12970

2-ethyl-1-butene

Structural Information

Molecular Formula

C₆H₁₂

SMILES

CCC(=C)CC

InChI

InChI=1S/C6H12/c1-4-6(3)5-2/h3-5H2,1-2H3

InChIKey

RYKZRKKEYSRDNF-UHFFFAOYSA-N

Compound name

3-methylidenepentane

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1
References: 13878
Patents: 84.0939 Da
Monoisotopic Mass: 2.9
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]+	85.101176	116.9
[M+Na]+	107.08312	124.2
[M-H]-	83.086624	117.4
[M+NH4]+	102.12772	141.1
[M+K]+	123.05706	124.1
[M+H-H2O]+	67.091160	113.1
[M+HCOO]-	129.09210	139.9
[M+CH3COO]-	143.10775	167.3
[M+Na-2H]-	105.06857	123.0
[M]+	84.093351	116.9
[M]-	84.094449	116.9

Literature stripe

literature stripe

Patent stripe

patents stripe