CID 3051197

3,5-dimethyl-1-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)piperidine

Structural Information

Molecular Formula
C21H35N
SMILES
CC1CC(CN(C1)CC(C)CC2=CC=C(C=C2)C(C)(C)C)C
InChI
InChI=1S/C21H35N/c1-16-11-17(2)14-22(13-16)15-18(3)12-19-7-9-20(10-8-19)21(4,5)6/h7-10,16-18H,11-15H2,1-6H3
InChIKey
PNPAYADWLSERQE-UHFFFAOYSA-N
Compound name
1-[3-(4-tert-butylphenyl)-2-methylpropyl]-3,5-dimethylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

301.27695 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.28423 179.0
[M+Na]+ 324.26617 182.7
[M-H]- 300.26967 183.1
[M+NH4]+ 319.31077 193.3
[M+K]+ 340.24011 178.6
[M+H-H2O]+ 284.27421 171.0
[M+HCOO]- 346.27515 192.8
[M+CH3COO]- 360.29080 210.7
[M+Na-2H]- 322.25162 177.9
[M]+ 301.27640 176.8
[M]- 301.27750 176.8
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