CID 3051199

1-(3-(4-(1,1-dimethylethyl)phenyl)-2-methylpropyl)-3-ethylpiperidine

Structural Information

Molecular Formula
C21H35N
SMILES
CCC1CCCN(C1)CC(C)CC2=CC=C(C=C2)C(C)(C)C
InChI
InChI=1S/C21H35N/c1-6-18-8-7-13-22(16-18)15-17(2)14-19-9-11-20(12-10-19)21(3,4)5/h9-12,17-18H,6-8,13-16H2,1-5H3
InChIKey
JWZXCRWQPCOMJN-UHFFFAOYSA-N
Compound name
1-[3-(4-tert-butylphenyl)-2-methylpropyl]-3-ethylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

301.27695 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.28423 179.7
[M+Na]+ 324.26617 182.4
[M-H]- 300.26967 183.3
[M+NH4]+ 319.31077 193.6
[M+K]+ 340.24011 178.3
[M+H-H2O]+ 284.27421 171.3
[M+HCOO]- 346.27515 193.5
[M+CH3COO]- 360.29080 209.6
[M+Na-2H]- 322.25162 179.2
[M]+ 301.27640 177.1
[M]- 301.27750 177.1
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