CID 68666214

Tert-butyl 3-amino-3-cyanopiperidine-1-carboxylate

Structural Information

Molecular Formula
C11H19N3O2
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)(C#N)N
InChI
InChI=1S/C11H19N3O2/c1-10(2,3)16-9(15)14-6-4-5-11(13,7-12)8-14/h4-6,8,13H2,1-3H3
InChIKey
IKNNCAWTKRMFSG-UHFFFAOYSA-N
Compound name
tert-butyl 3-amino-3-cyanopiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

225.14772 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.154996 153.7
[M+Na]+ 248.136938 160.8
[M-H]- 224.140444 154.8
[M+NH4]+ 243.181543 170.2
[M+K]+ 264.110878 159.2
[M+H-H2O]+ 208.144980 141.7
[M+HCOO]- 270.145921 167.5
[M+CH3COO]- 284.161571 201.1
[M+Na-2H]- 246.122386 157.1
[M]+ 225.14717142 145.5
[M]- 225.14826858 145.5
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