CID 238104

2-methylazepane hydrochloride

Structural Information

Molecular Formula

C₇H₁₅N

SMILES

CC1CCCCCN1

InChI

InChI=1S/C7H15N/c1-7-5-3-2-4-6-8-7/h7-8H,2-6H2,1H3

InChIKey

LGONGMXQDFYGKU-UHFFFAOYSA-N

Compound name

2-methylazepane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 347
Patents: 113.12045 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]+	114.12773	122.0
[M+Na]+	136.10967	130.8
[M+NH4]+	131.15427	130.3
[M+K]+	152.08361	126.5
[M-H]-	112.11317	123.2
[M+Na-2H]-	134.09512	127.6
[M]+	113.11990	123.4
[M]-	113.12100	123.4

Literature stripe

literature stripe

Patent stripe

patents stripe