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 154.6
[M+Na]+ 261.15734 162.8
[M-H]- 237.16084 156.5
[M+NH4]+ 256.20194 171.7
[M+K]+ 277.13128 160.9
[M+H-H2O]+ 221.16538 143.1
[M+HCOO]- 283.16632 167.7
[M+CH3COO]- 297.18197 203.7
[M+Na-2H]- 259.14279 157.5
[M]+ 238.16757 149.2
[M]- 238.16867 149.2
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