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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.201226 146.8
[M+Na]+ 219.183168 146.2
[M-H]- 195.186674 147.9
[M+NH4]+ 214.227773 160.5
[M+K]+ 235.157108 146.9
[M+H-H2O]+ 179.191210 137.7
[M+HCOO]- 241.192151 158.6
[M+CH3COO]- 255.207801 154.8
[M+Na-2H]- 217.168616 148.9
[M]+ 196.19340142 133.1
[M]- 196.19449858 133.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe