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 161.9
[M+Na]+ 258.12130 170.2
[M-H]- 234.12480 164.4
[M+NH4]+ 253.16590 174.1
[M+K]+ 274.09524 167.3
[M+H-H2O]+ 218.12934 147.2
[M+HCOO]- 280.13028 169.9
[M+CH3COO]- 294.14593 219.5
[M+Na-2H]- 256.10675 163.4
[M]+ 235.13153 153.0
[M]- 235.13263 153.0
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.