CID 75357555

Tert-butyl 4,4-dicyanopiperidine-1-carboxylate

Structural Information

Molecular Formula
C12H17N3O2
SMILES
CC(C)(C)OC(=O)N1CCC(CC1)(C#N)C#N
InChI
InChI=1S/C12H17N3O2/c1-11(2,3)17-10(16)15-6-4-12(8-13,9-14)5-7-15/h4-7H2,1-3H3
InChIKey
OYSRIWSEDUHYOO-UHFFFAOYSA-N
Compound name
tert-butyl 4,4-dicyanopiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.13208 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.13936 173.5
[M+Na]+ 258.12130 179.9
[M+NH4]+ 253.16590 173.9
[M+K]+ 274.09524 169.9
[M-H]- 234.12480 162.1
[M+Na-2H]- 256.10675 171.9
[M]+ 235.13153 169.9
[M]- 235.13263 169.9
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

No patent data available for this compound.