CID 70940

1192-95-6

Structural Information

Molecular Formula

C₇H₁₅N

SMILES

CN1CCCCCC1

InChI

InChI=1S/C7H15N/c1-8-6-4-2-3-5-7-8/h2-7H2,1H3

InChIKey

ZKUKXSWKWGHYKJ-UHFFFAOYSA-N

Compound name

1-methylazepane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 4213
Patents: 113.12045 Da
Monoisotopic Mass: 1.7
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	119.3
[M+Na]+	136.109668	122.5
[M-H]-	112.113174	121.7
[M+NH4]+	131.154273	138.9
[M+K]+	152.083608	125.9
[M+H-H2O]+	96.117710	113.5
[M+HCOO]-	158.118651	138.1
[M+CH3COO]-	172.134301	171.8
[M+Na-2H]-	134.095116	125.5
[M]+	113.11990142	111.7
[M]-	113.12099858	111.7

Literature stripe

literature stripe

Patent stripe

patents stripe