CID 84107049

6-ethyl-1-methyl-1,4-diazepane

Structural Information

Molecular Formula

C₈H₁₈N₂

SMILES

CCC1CNCCN(C1)C

InChI

InChI=1S/C8H18N2/c1-3-8-6-9-4-5-10(2)7-8/h8-9H,3-7H2,1-2H3

InChIKey

XJZPHBKPSFKUPP-UHFFFAOYSA-N

Compound name

6-ethyl-1-methyl-1,4-diazepane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 142.147 Da
Monoisotopic Mass: 0.8
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]+	143.15428	130.2
[M+Na]+	165.13622	139.0
[M+NH4]+	160.18082	137.5
[M+K]+	181.11016	134.8
[M-H]-	141.13972	130.7
[M+Na-2H]-	163.12167	134.9
[M]+	142.14645	131.4
[M]-	142.14755	131.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe