CID 12252764

1-cyclohexylpiperidin-4-one

Structural Information

Molecular Formula
C11H19NO
SMILES
C1CCC(CC1)N2CCC(=O)CC2
InChI
InChI=1S/C11H19NO/c13-11-6-8-12(9-7-11)10-4-2-1-3-5-10/h10H,1-9H2
InChIKey
QQYHUQVNANUTNM-UHFFFAOYSA-N
Compound name
1-cyclohexylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

181.14667 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.153946 143.0
[M+Na]+ 204.135888 145.8
[M-H]- 180.139394 146.5
[M+NH4]+ 199.180493 160.8
[M+K]+ 220.109828 143.8
[M+H-H2O]+ 164.143930 135.3
[M+HCOO]- 226.144871 158.7
[M+CH3COO]- 240.160521 180.1
[M+Na-2H]- 202.121336 145.8
[M]+ 181.14612142 134.0
[M]- 181.14721858 134.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe