CID 549131

56335-70-7

Structural Information

Molecular Formula

C₇H₁₂

SMILES

CCC1CC(=C)C1

InChI

InChI=1S/C7H12/c1-3-7-4-6(2)5-7/h7H,2-5H2,1H3

InChIKey

IDCOKWFSONUPDS-UHFFFAOYSA-N

Compound name

1-ethyl-3-methylidenecyclobutane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 96.0939 Da
Monoisotopic Mass: 2.3
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]+	97.101176	116.2
[M+Na]+	119.08312	122.9
[M-H]-	95.086624	120.1
[M+NH4]+	114.12772	133.6
[M+K]+	135.05706	124.8
[M+H-H2O]+	79.091160	107.4
[M+HCOO]-	141.09210	138.4
[M+CH3COO]-	155.10775	172.3
[M+Na-2H]-	117.06857	122.4
[M]+	96.093351	123.4
[M]-	96.094449	123.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe