CID 71755706

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

Structural Information

Molecular Formula
C12H21NO
SMILES
C1CCC(NCC1)C2CCCCC2=O
InChI
InChI=1S/C12H21NO/c14-12-8-4-3-6-10(12)11-7-2-1-5-9-13-11/h10-11,13H,1-9H2
InChIKey
UIQMKPCYIKPHKY-UHFFFAOYSA-N
Compound name
2-(azepan-2-yl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.16231 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.169586 144.4
[M+Na]+ 218.151528 144.8
[M-H]- 194.155034 147.4
[M+NH4]+ 213.196133 159.7
[M+K]+ 234.125468 145.8
[M+H-H2O]+ 178.159570 137.3
[M+HCOO]- 240.160511 157.9
[M+CH3COO]- 254.176161 182.4
[M+Na-2H]- 216.136976 146.0
[M]+ 195.16176142 131.3
[M]- 195.16285858 131.3
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.