CID 55838

2-piperidinomethyl-3-menthone hydrochloride

Structural Information

Molecular Formula
C16H29NO
SMILES
CC1CCC(C(=O)C1CN2CCCCC2)C(C)C
InChI
InChI=1S/C16H29NO/c1-12(2)14-8-7-13(3)15(16(14)18)11-17-9-5-4-6-10-17/h12-15H,4-11H2,1-3H3
InChIKey
PLCLEICHVLHBLQ-UHFFFAOYSA-N
Compound name
3-methyl-2-(piperidin-1-ylmethyl)-6-propan-2-ylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.22491 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.23219 164.9
[M+Na]+ 274.21413 175.0
[M+NH4]+ 269.25873 173.1
[M+K]+ 290.18807 168.0
[M-H]- 250.21763 168.2
[M+Na-2H]- 272.19958 168.6
[M]+ 251.22436 167.0
[M]- 251.22546 167.0
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.