CID 210737

21594-80-9

Structural Information

Molecular Formula
C21H33N
SMILES
CC(C)(C)C1CCC(CC1)(C2=CC=CC=C2)N3CCCCC3
InChI
InChI=1S/C21H33N/c1-20(2,3)18-12-14-21(15-13-18,19-10-6-4-7-11-19)22-16-8-5-9-17-22/h4,6-7,10-11,18H,5,8-9,12-17H2,1-3H3
InChIKey
LHYFVODMMVABLM-UHFFFAOYSA-N
Compound name
1-(4-tert-butyl-1-phenylcyclohexyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.2613 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.268576 178.4
[M+Na]+ 322.250518 179.4
[M-H]- 298.254024 184.2
[M+NH4]+ 317.295123 193.2
[M+K]+ 338.224458 175.1
[M+H-H2O]+ 282.258560 168.7
[M+HCOO]- 344.259501 190.1
[M+CH3COO]- 358.275151 204.0
[M+Na-2H]- 320.235966 179.8
[M]+ 299.26075142 169.0
[M]- 299.26184858 169.0
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.