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

5
Patents

225.14772 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.15500 153.7
[M+Na]+ 248.13694 160.8
[M-H]- 224.14044 154.8
[M+NH4]+ 243.18154 170.2
[M+K]+ 264.11088 159.2
[M+H-H2O]+ 208.14498 141.7
[M+HCOO]- 270.14592 167.5
[M+CH3COO]- 284.16157 201.1
[M+Na-2H]- 246.12239 157.1
[M]+ 225.14717 145.5
[M]- 225.14827 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