CID 200464

1-(3-cyclohexen-1-ylmethyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₉N

SMILES

C1CCN(C1)CC2CCC=CC2

InChI

InChI=1S/C11H19N/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h1-2,11H,3-10H2

InChIKey

DWOVCFOFWAYPJI-UHFFFAOYSA-N

Compound name

1-(cyclohex-3-en-1-ylmethyl)pyrrolidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 165.15175 Da
Monoisotopic Mass: 2.5
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	139.5
[M+Na]+	188.140968	143.2
[M-H]-	164.144474	143.3
[M+NH4]+	183.185573	159.9
[M+K]+	204.114908	141.1
[M+H-H2O]+	148.149010	132.0
[M+HCOO]-	210.149951	158.6
[M+CH3COO]-	224.165601	177.1
[M+Na-2H]-	186.126416	142.4
[M]+	165.15120142	133.0
[M]-	165.15229858	133.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe