CID 548846

Cyclopropene, 3,3-diethyl-

Structural Information

Molecular Formula

C₇H₁₂

SMILES

CCC1(C=C1)CC

InChI

InChI=1S/C7H12/c1-3-7(4-2)5-6-7/h5-6H,3-4H2,1-2H3

InChIKey

PBCCLZOPAWAFQF-UHFFFAOYSA-N

Compound name

3,3-diethylcyclopropene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 96.0939 Da
Monoisotopic Mass: 3.0
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	119.0
[M+Na]+	119.083118	129.5
[M-H]-	95.086624	124.5
[M+NH4]+	114.127723	139.8
[M+K]+	135.057058	128.9
[M+H-H2O]+	79.091160	114.7
[M+HCOO]-	141.092101	144.1
[M+CH3COO]-	155.107751	171.9
[M+Na-2H]-	117.068566	128.4
[M]+	96.09335142	123.5
[M]-	96.09444858	123.5

Literature stripe

literature stripe

Patent stripe

patents stripe