CID 132342088

4,4-dimethyl-5-phenylpiperidin-2-one

Structural Information

Molecular Formula
C13H17NO
SMILES
CC1(CC(=O)NCC1C2=CC=CC=C2)C
InChI
InChI=1S/C13H17NO/c1-13(2)8-12(15)14-9-11(13)10-6-4-3-5-7-10/h3-7,11H,8-9H2,1-2H3,(H,14,15)
InChIKey
AHVIYUHXIHQZPC-UHFFFAOYSA-N
Compound name
4,4-dimethyl-5-phenylpiperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.13101 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.138286 146.5
[M+Na]+ 226.120228 153.2
[M-H]- 202.123734 150.3
[M+NH4]+ 221.164833 165.5
[M+K]+ 242.094168 149.4
[M+H-H2O]+ 186.128270 139.7
[M+HCOO]- 248.129211 164.6
[M+CH3COO]- 262.144861 183.0
[M+Na-2H]- 224.105676 151.3
[M]+ 203.13046142 141.4
[M]- 203.13155858 141.4
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.