CID 43317922

1-(3-methylcyclohexyl)piperidin-4-one

Structural Information

Molecular Formula
C12H21NO
SMILES
CC1CCCC(C1)N2CCC(=O)CC2
InChI
InChI=1S/C12H21NO/c1-10-3-2-4-11(9-10)13-7-5-12(14)6-8-13/h10-11H,2-9H2,1H3
InChIKey
JYZDQHHPRSMCHZ-UHFFFAOYSA-N
Compound name
1-(3-methylcyclohexyl)piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.16231 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.169586 147.3
[M+Na]+ 218.151528 150.6
[M-H]- 194.155034 151.0
[M+NH4]+ 213.196133 164.9
[M+K]+ 234.125468 148.4
[M+H-H2O]+ 178.159570 139.6
[M+HCOO]- 240.160511 162.6
[M+CH3COO]- 254.176161 184.3
[M+Na-2H]- 216.136976 148.8
[M]+ 195.16176142 139.0
[M]- 195.16285858 139.0
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.