CID 4674520

1-(2-methyl-1-pyrrolidinyl)cyclohexene

Structural Information

Molecular Formula

C₁₁H₁₉N

SMILES

CC1CCCN1C2=CCCCC2

InChI

InChI=1S/C11H19N/c1-10-6-5-9-12(10)11-7-3-2-4-8-11/h7,10H,2-6,8-9H2,1H3

InChIKey

BHPIFKGSQOHIII-UHFFFAOYSA-N

Compound name

1-(cyclohexen-1-yl)-2-methylpyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 165.15175 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]+	166.159026	139.3
[M+Na]+	188.140968	143.9
[M-H]-	164.144474	143.5
[M+NH4]+	183.185573	160.0
[M+K]+	204.114908	141.8
[M+H-H2O]+	148.149010	132.1
[M+HCOO]-	210.149951	158.3
[M+CH3COO]-	224.165601	178.2
[M+Na-2H]-	186.126416	141.5
[M]+	165.15120142	133.1
[M]-	165.15229858	133.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe