CID 213251

25872-67-7

Structural Information

Molecular Formula
C15H21NO
SMILES
CC1=CC=C(C=C1)C(=O)C(C)N2CCCCC2
InChI
InChI=1S/C15H21NO/c1-12-6-8-14(9-7-12)15(17)13(2)16-10-4-3-5-11-16/h6-9,13H,3-5,10-11H2,1-2H3
InChIKey
DHZOVKWINAURCF-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-2-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.16231 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.16959 155.4
[M+Na]+ 254.15153 159.1
[M-H]- 230.15503 159.5
[M+NH4]+ 249.19613 171.3
[M+K]+ 270.12547 156.4
[M+H-H2O]+ 214.15957 147.2
[M+HCOO]- 276.16051 172.2
[M+CH3COO]- 290.17616 192.7
[M+Na-2H]- 252.13698 156.8
[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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.