CID 90769

2-methyl-1-phenyl-3-(1-piperidinyl)-1-propanone

Structural Information

Molecular Formula
C15H21NO
SMILES
CC(CN1CCCCC1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H21NO/c1-13(12-16-10-6-3-7-11-16)15(17)14-8-4-2-5-9-14/h2,4-5,8-9,13H,3,6-7,10-12H2,1H3
InChIKey
SOYVHSZVPQHVOP-UHFFFAOYSA-N
Compound name
2-methyl-1-phenyl-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

231.16231 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.16959 155.9
[M+Na]+ 254.15153 158.6
[M-H]- 230.15503 159.5
[M+NH4]+ 249.19613 171.5
[M+K]+ 270.12547 155.8
[M+H-H2O]+ 214.15957 147.4
[M+HCOO]- 276.16051 172.6
[M+CH3COO]- 290.17616 191.6
[M+Na-2H]- 252.13698 158.0
[M]+ 231.16176 150.9
[M]- 231.16286 150.9
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