CID 21105

5005-81-2

Structural Information

Molecular Formula
C13H25N
SMILES
C1CCCN(CC1)CC2CCCCC2
InChI
InChI=1S/C13H25N/c1-2-7-11-14(10-6-1)12-13-8-4-3-5-9-13/h13H,1-12H2
InChIKey
JOKJXCSPVBPWKT-UHFFFAOYSA-N
Compound name
1-(cyclohexylmethyl)azepane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

195.1987 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.205976 145.9
[M+Na]+ 218.187918 145.2
[M-H]- 194.191424 149.6
[M+NH4]+ 213.232523 161.7
[M+K]+ 234.161858 146.6
[M+H-H2O]+ 178.195960 138.2
[M+HCOO]- 240.196901 160.1
[M+CH3COO]- 254.212551 155.0
[M+Na-2H]- 216.173366 148.0
[M]+ 195.19815142 133.8
[M]- 195.19924858 133.8
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