CID 20373338

(cyclohept-4-en-1-yl)methanamine hydrochloride

Structural Information

Molecular Formula

C₈H₁₅N

SMILES

C1CC(CCC=C1)CN

InChI

InChI=1S/C8H15N/c9-7-8-5-3-1-2-4-6-8/h1-2,8H,3-7,9H2

InChIKey

LNCGPWNSTUWBPK-UHFFFAOYSA-N

Compound name

cyclohept-4-en-1-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 125.12045 Da
Monoisotopic Mass: 1.4
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	123.0
[M+Na]+	148.109668	125.9
[M-H]-	124.113174	126.5
[M+NH4]+	143.154273	142.9
[M+K]+	164.083608	128.9
[M+H-H2O]+	108.117710	118.1
[M+HCOO]-	170.118651	144.4
[M+CH3COO]-	184.134301	175.5
[M+Na-2H]-	146.095116	128.8
[M]+	125.11990142	115.0
[M]-	125.12099858	115.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe