CID 12438051

6,6-dimethyl-1,4-diazepane

Structural Information

Molecular Formula

C₇H₁₆N₂

SMILES

CC1(CNCCNC1)C

InChI

InChI=1S/C7H16N2/c1-7(2)5-8-3-4-9-6-7/h8-9H,3-6H2,1-2H3

InChIKey

MPEHMHGIZSYABM-UHFFFAOYSA-N

Compound name

6,6-dimethyl-1,4-diazepane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 77
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	124.7
[M+Na]+	151.12057	132.9
[M+NH4]+	146.16517	133.1
[M+K]+	167.09451	127.7
[M-H]-	127.12407	124.6
[M+Na-2H]-	149.10602	130.8
[M]+	128.13080	125.7
[M]-	128.13190	125.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe