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]+ 260.200876 164.0
[M+Na]+ 282.182818 167.8
[M-H]- 258.186324 168.1
[M+NH4]+ 277.227423 179.1
[M+K]+ 298.156758 164.6
[M+H-H2O]+ 242.190860 155.7
[M+HCOO]- 304.191801 180.1
[M+CH3COO]- 318.207451 199.9
[M+Na-2H]- 280.168266 163.7
[M]+ 259.19305142 160.6
[M]- 259.19414858 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