CID 214226

27922-18-5

Structural Information

Molecular Formula
C17H25NO
SMILES
CC1=CC(=C(C=C1)C(=O)C(C)CN2CCCCC2)C
InChI
InChI=1S/C17H25NO/c1-13-7-8-16(14(2)11-13)17(19)15(3)12-18-9-5-4-6-10-18/h7-8,11,15H,4-6,9-10,12H2,1-3H3
InChIKey
RAIRUUKEMQNJPV-UHFFFAOYSA-N
Compound name
1-(2,4-dimethylphenyl)-2-methyl-3-piperidin-1-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

259.1936 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.20088 164.0
[M+Na]+ 282.18282 167.8
[M-H]- 258.18632 168.1
[M+NH4]+ 277.22742 179.1
[M+K]+ 298.15676 164.6
[M+H-H2O]+ 242.19086 155.7
[M+HCOO]- 304.19180 180.1
[M+CH3COO]- 318.20745 199.9
[M+Na-2H]- 280.16827 163.7
[M]+ 259.19305 160.6
[M]- 259.19415 160.6
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