CID 76938

2-(1-cyclohexenyl)ethylamine

Structural Information

Molecular Formula

C₈H₁₅N

SMILES

C1CCC(=CC1)CCN

InChI

InChI=1S/C8H15N/c9-7-6-8-4-2-1-3-5-8/h4H,1-3,5-7,9H2

InChIKey

IUDMXOOVKMKODN-UHFFFAOYSA-N

Compound name

2-(cyclohexen-1-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 1150
Patents: 125.12045 Da
Monoisotopic Mass: 1.3
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]+	126.12773	127.4
[M+Na]+	148.10967	132.3
[M-H]-	124.11317	129.8
[M+NH4]+	143.15427	148.9
[M+K]+	164.08361	130.7
[M+H-H2O]+	108.11771	121.8
[M+HCOO]-	170.11865	149.8
[M+CH3COO]-	184.13430	173.1
[M+Na-2H]-	146.09512	133.4
[M]+	125.11990	122.3
[M]-	125.12100	122.3

Literature stripe

literature stripe

Patent stripe

patents stripe