CID 580922

129164-39-2

Structural Information

Molecular Formula
C14H19NO
SMILES
CC1CN(CCC1=O)CCC2=CC=CC=C2
InChI
InChI=1S/C14H19NO/c1-12-11-15(10-8-14(12)16)9-7-13-5-3-2-4-6-13/h2-6,12H,7-11H2,1H3
InChIKey
FYNKVRCSKRJSSF-UHFFFAOYSA-N
Compound name
3-methyl-1-(2-phenylethyl)piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

12
Patents

217.14667 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.153946 150.6
[M+Na]+ 240.135888 156.3
[M-H]- 216.139394 155.1
[M+NH4]+ 235.180493 167.7
[M+K]+ 256.109828 152.9
[M+H-H2O]+ 200.143930 142.6
[M+HCOO]- 262.144871 169.8
[M+CH3COO]- 276.160521 189.1
[M+Na-2H]- 238.121336 154.3
[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

literature stripe

Patent stripe

patents stripe