CID 57345862

Tert-butyl 4-(4-cyanocyclohexyl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C17H28N2O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)C2CCC(CC2)C#N
InChI
InChI=1S/C17H28N2O2/c1-17(2,3)21-16(20)19-10-8-15(9-11-19)14-6-4-13(12-18)5-7-14/h13-15H,4-11H2,1-3H3
InChIKey
QOCOQICNCWFZCK-UHFFFAOYSA-N
Compound name
tert-butyl 4-(4-cyanocyclohexyl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.2151 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.22238 173.5
[M+Na]+ 315.20432 181.7
[M+NH4]+ 310.24892 176.9
[M+K]+ 331.17826 173.3
[M-H]- 291.20782 167.9
[M+Na-2H]- 313.18977 174.0
[M]+ 292.21455 172.0
[M]- 292.21565 172.0
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.