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]+ 197.20123 146.8
[M+Na]+ 219.18317 146.2
[M-H]- 195.18667 147.9
[M+NH4]+ 214.22777 160.5
[M+K]+ 235.15711 146.9
[M+H-H2O]+ 179.19121 137.7
[M+HCOO]- 241.19215 158.6
[M+CH3COO]- 255.20780 154.8
[M+Na-2H]- 217.16862 148.9
[M]+ 196.19340 133.1
[M]- 196.19450 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