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]+ 196.16959 147.3
[M+Na]+ 218.15153 150.6
[M-H]- 194.15503 151.0
[M+NH4]+ 213.19613 164.9
[M+K]+ 234.12547 148.4
[M+H-H2O]+ 178.15957 139.6
[M+HCOO]- 240.16051 162.6
[M+CH3COO]- 254.17616 184.3
[M+Na-2H]- 216.13698 148.8
[M]+ 195.16176 139.0
[M]- 195.16286 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.