CID 43794484

2-(azepan-1-yl)cyclohexan-1-one

Structural Information

Molecular Formula
C12H21NO
SMILES
C1CCCN(CC1)C2CCCCC2=O
InChI
InChI=1S/C12H21NO/c14-12-8-4-3-7-11(12)13-9-5-1-2-6-10-13/h11H,1-10H2
InChIKey
IJRYZNMWTAVFKX-UHFFFAOYSA-N
Compound name
2-(azepan-1-yl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.16231 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.169586 143.5
[M+Na]+ 218.151528 144.3
[M-H]- 194.155034 147.8
[M+NH4]+ 213.196133 159.5
[M+K]+ 234.125468 146.1
[M+H-H2O]+ 178.159570 136.1
[M+HCOO]- 240.160511 158.4
[M+CH3COO]- 254.176161 184.8
[M+Na-2H]- 216.136976 145.5
[M]+ 195.16176142 132.1
[M]- 195.16285858 132.1
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

No patent data available for this compound.