CID 107552

4442-90-4

Structural Information

Molecular Formula

C₈H₁₅N

SMILES

C1CCC(=CCN)CC1

InChI

InChI=1S/C8H15N/c9-7-6-8-4-2-1-3-5-8/h6H,1-5,7,9H2

InChIKey

ZUHPVZOOSWSQDR-UHFFFAOYSA-N

Compound name

2-cyclohexylideneethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
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	128.4
[M+Na]+	148.109668	132.6
[M-H]-	124.113174	130.5
[M+NH4]+	143.154273	149.8
[M+K]+	164.083608	130.7
[M+H-H2O]+	108.117710	122.9
[M+HCOO]-	170.118651	149.5
[M+CH3COO]-	184.134301	171.9
[M+Na-2H]-	146.095116	133.4
[M]+	125.11990142	121.0
[M]-	125.12099858	121.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe