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

2
Annotation Hits: 4
References: 1635
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]+	126.127726	127.4
[M+Na]+	148.109668	132.3
[M-H]-	124.113174	129.8
[M+NH4]+	143.154273	148.9
[M+K]+	164.083608	130.7
[M+H-H2O]+	108.117710	121.8
[M+HCOO]-	170.118651	149.8
[M+CH3COO]-	184.134301	173.1
[M+Na-2H]-	146.095116	133.4
[M]+	125.11990142	122.3
[M]-	125.12099858	122.3

Literature stripe

literature stripe

Patent stripe

patents stripe