CID 24702363

1-(cyclohexylmethyl)-1,4-diazepane

Structural Information

Molecular Formula

C₁₂H₂₄N₂

SMILES

C1CCC(CC1)CN2CCCNCC2

InChI

InChI=1S/C12H24N2/c1-2-5-12(6-3-1)11-14-9-4-7-13-8-10-14/h12-13H,1-11H2

InChIKey

MBOYHABMLRNQHS-UHFFFAOYSA-N

Compound name

1-(cyclohexylmethyl)-1,4-diazepane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 196.19395 Da
Monoisotopic Mass: 2.3
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]+	197.20123	149.9
[M+Na]+	219.18317	157.7
[M+NH4]+	214.22777	157.5
[M+K]+	235.15711	152.3
[M-H]-	195.18667	152.1
[M+Na-2H]-	217.16862	154.8
[M]+	196.19340	151.4
[M]-	196.19450	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe