CID 382273

2-((dimethylamino)methyl)-6-(1-piperidinylmethyl)cyclohexanone

Structural Information

Molecular Formula
C15H28N2O
SMILES
CN(C)CC1CCCC(C1=O)CN2CCCCC2
InChI
InChI=1S/C15H28N2O/c1-16(2)11-13-7-6-8-14(15(13)18)12-17-9-4-3-5-10-17/h13-14H,3-12H2,1-2H3
InChIKey
FIDWOYJZBJLWKW-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]-6-(piperidin-1-ylmethyl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.22017 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.22745 163.9
[M+Na]+ 275.20939 165.2
[M-H]- 251.21289 168.3
[M+NH4]+ 270.25399 179.4
[M+K]+ 291.18333 163.5
[M+H-H2O]+ 235.21743 155.1
[M+HCOO]- 297.21837 179.7
[M+CH3COO]- 311.23402 201.6
[M+Na-2H]- 273.19484 163.5
[M]+ 252.21962 157.2
[M]- 252.22072 157.2
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.