CID 2756577

N-(3-azepanyl)-n-methylamine

Structural Information

Molecular Formula

C₇H₁₆N₂

SMILES

CNC1CCCCNC1

InChI

InChI=1S/C7H16N2/c1-8-7-4-2-3-5-9-6-7/h7-9H,2-6H2,1H3

InChIKey

OROOBNKHDZYDFL-UHFFFAOYSA-N

Compound name

N-methylazepan-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 128.13135 Da
Monoisotopic Mass: 0.3
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]+	129.13863	125.3
[M+Na]+	151.12057	127.4
[M-H]-	127.12407	126.4
[M+NH4]+	146.16517	143.3
[M+K]+	167.09451	130.1
[M+H-H2O]+	111.12861	118.9
[M+HCOO]-	173.12955	143.6
[M+CH3COO]-	187.14520	173.6
[M+Na-2H]-	149.10602	131.1
[M]+	128.13080	115.3
[M]-	128.13190	115.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe