CID 138112040

Tert-butyl 4-cyano-2,2-dimethylpiperidine-1-carboxylate

Structural Information

Molecular Formula
C13H22N2O2
SMILES
CC1(CC(CCN1C(=O)OC(C)(C)C)C#N)C
InChI
InChI=1S/C13H22N2O2/c1-12(2,3)17-11(16)15-7-6-10(9-14)8-13(15,4)5/h10H,6-8H2,1-5H3
InChIKey
WGHJILRUKIFCNA-UHFFFAOYSA-N
Compound name
tert-butyl 4-cyano-2,2-dimethylpiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

238.16812 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.17540 153.6
[M+Na]+ 261.15734 162.6
[M+NH4]+ 256.20194 158.0
[M+K]+ 277.13128 153.8
[M-H]- 237.16084 146.1
[M+Na-2H]- 259.14279 155.6
[M]+ 238.16757 151.9
[M]- 238.16867 151.9
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