CID 22278920

1-benzyl-3,5-dimethylpiperidin-4-one

Structural Information

Molecular Formula
C14H19NO
SMILES
CC1CN(CC(C1=O)C)CC2=CC=CC=C2
InChI
InChI=1S/C14H19NO/c1-11-8-15(9-12(2)14(11)16)10-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3
InChIKey
KUUYMZATYJQLLZ-UHFFFAOYSA-N
Compound name
1-benzyl-3,5-dimethylpiperidin-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

139
Patents

217.14667 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.153946 150.3
[M+Na]+ 240.135888 156.9
[M-H]- 216.139394 155.2
[M+NH4]+ 235.180493 167.6
[M+K]+ 256.109828 153.5
[M+H-H2O]+ 200.143930 142.5
[M+HCOO]- 262.144871 169.4
[M+CH3COO]- 276.160521 190.3
[M+Na-2H]- 238.121336 153.2
[M]+ 217.14612142 147.4
[M]- 217.14721858 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

patents stripe