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]+ 196.16959 144.4
[M+Na]+ 218.15153 144.8
[M-H]- 194.15503 147.4
[M+NH4]+ 213.19613 159.7
[M+K]+ 234.12547 145.8
[M+H-H2O]+ 178.15957 137.3
[M+HCOO]- 240.16051 157.9
[M+CH3COO]- 254.17616 182.4
[M+Na-2H]- 216.13698 146.0
[M]+ 195.16176 131.3
[M]- 195.16286 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.