CID 54593754

1-benzyl-2,5-dimethylpiperidin-3-one

Structural Information

Molecular Formula
C14H19NO
SMILES
CC1CC(=O)C(N(C1)CC2=CC=CC=C2)C
InChI
InChI=1S/C14H19NO/c1-11-8-14(16)12(2)15(9-11)10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3
InChIKey
FABAJOBMSRCVJN-UHFFFAOYSA-N
Compound name
1-benzyl-2,5-dimethylpiperidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.14667 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.15395 150.3
[M+Na]+ 240.13589 156.9
[M-H]- 216.13939 155.2
[M+NH4]+ 235.18049 167.6
[M+K]+ 256.10983 153.5
[M+H-H2O]+ 200.14393 142.5
[M+HCOO]- 262.14487 169.4
[M+CH3COO]- 276.16052 190.3
[M+Na-2H]- 238.12134 153.2
[M]+ 217.14612 147.4
[M]- 217.14722 147.4
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.