CID 19600416

4-methylazepane

Structural Information

Molecular Formula

C₇H₁₅N

SMILES

CC1CCCNCC1

InChI

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

InChIKey

WKZHYWWKUYGHKO-UHFFFAOYSA-N

Compound name

4-methylazepane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 738
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]+	114.127726	120.4
[M+Na]+	136.109668	123.2
[M-H]-	112.113174	121.5
[M+NH4]+	131.154273	139.3
[M+K]+	152.083608	125.8
[M+H-H2O]+	96.117710	114.8
[M+HCOO]-	158.118651	137.8
[M+CH3COO]-	172.134301	169.1
[M+Na-2H]-	134.095116	126.0
[M]+	113.11990142	111.1
[M]-	113.12099858	111.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe