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

6
Patents

238.16812 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.175396 154.6
[M+Na]+ 261.157338 162.8
[M-H]- 237.160844 156.5
[M+NH4]+ 256.201943 171.7
[M+K]+ 277.131278 160.9
[M+H-H2O]+ 221.165380 143.1
[M+HCOO]- 283.166321 167.7
[M+CH3COO]- 297.181971 203.7
[M+Na-2H]- 259.142786 157.5
[M]+ 238.16757142 149.2
[M]- 238.16866858 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