CID 2756445

Azepan-3-amine

Structural Information

Molecular Formula

C₆H₁₄N₂

SMILES

C1CCNCC(C1)N

InChI

InChI=1S/C6H14N2/c7-6-3-1-2-4-8-5-6/h6,8H,1-5,7H2

InChIKey

WJUBYASTGWKFHK-UHFFFAOYSA-N

Compound name

azepan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 431
Patents: 114.1157 Da
Monoisotopic Mass: -0.2
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]+	115.12298	121.1
[M+Na]+	137.10492	123.6
[M-H]-	113.10842	121.8
[M+NH4]+	132.14952	139.4
[M+K]+	153.07886	126.3
[M+H-H2O]+	97.112960	114.8
[M+HCOO]-	159.11390	139.1
[M+CH3COO]-	173.12955	170.1
[M+Na-2H]-	135.09037	126.4
[M]+	114.11515	109.7
[M]-	114.11625	109.7

Literature stripe

literature stripe

Patent stripe

patents stripe