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 171.1
[M+Na]+ 315.20432 175.6
[M-H]- 291.20782 173.8
[M+NH4]+ 310.24892 183.5
[M+K]+ 331.17826 171.6
[M+H-H2O]+ 275.21236 157.2
[M+HCOO]- 337.21330 180.2
[M+CH3COO]- 351.22895 212.0
[M+Na-2H]- 313.18977 170.3
[M]+ 292.21455 160.3
[M]- 292.21565 160.3
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.