CID 70768

1125-99-1

Structural Information

Molecular Formula

C₁₀H₁₇N

SMILES

C1CCC(=CC1)N2CCCC2

InChI

InChI=1S/C10H17N/c1-2-6-10(7-3-1)11-8-4-5-9-11/h6H,1-5,7-9H2

InChIKey

KTZNVZJECQAMBV-UHFFFAOYSA-N

Compound name

1-(cyclohexen-1-yl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 738
Patents: 151.1361 Da
Monoisotopic Mass: 2.6
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]+	152.14338	135.0
[M+Na]+	174.12532	139.0
[M-H]-	150.12882	139.0
[M+NH4]+	169.16992	155.9
[M+K]+	190.09926	137.2
[M+H-H2O]+	134.13336	127.6
[M+HCOO]-	196.13430	154.4
[M+CH3COO]-	210.14995	147.1
[M+Na-2H]-	172.11077	138.4
[M]+	151.13555	128.1
[M]-	151.13665	128.1

Literature stripe

literature stripe

Patent stripe

patents stripe