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 164.6
[M+Na]+ 274.21413 166.9
[M-H]- 250.21763 168.0
[M+NH4]+ 269.25873 180.2
[M+K]+ 290.18807 164.2
[M+H-H2O]+ 234.22217 156.7
[M+HCOO]- 296.22311 177.6
[M+CH3COO]- 310.23876 198.4
[M+Na-2H]- 272.19958 162.2
[M]+ 251.22436 157.5
[M]- 251.22546 157.5
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.