CID 10441718

1,5-dimethyl-1,4-diazepane

Structural Information

Molecular Formula

C₇H₁₆N₂

SMILES

CC1CCN(CCN1)C

InChI

InChI=1S/C7H16N2/c1-7-3-5-9(2)6-4-8-7/h7-8H,3-6H2,1-2H3

InChIKey

YXHIPTFPIOGDBW-UHFFFAOYSA-N

Compound name

1,5-dimethyl-1,4-diazepane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 128.13135 Da
Monoisotopic Mass: 0.4
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]+	129.13863	126.0
[M+Na]+	151.12057	134.9
[M+NH4]+	146.16517	133.5
[M+K]+	167.09451	131.0
[M-H]-	127.12407	126.4
[M+Na-2H]-	149.10602	130.9
[M]+	128.13080	127.2
[M]-	128.13190	127.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe