CID 57435956

Tert-butyl 3-amino-3-cyanopyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C10H17N3O2
SMILES
CC(C)(C)OC(=O)N1CCC(C1)(C#N)N
InChI
InChI=1S/C10H17N3O2/c1-9(2,3)15-8(14)13-5-4-10(12,6-11)7-13/h4-5,7,12H2,1-3H3
InChIKey
NFLVTBMZGLRSPT-UHFFFAOYSA-N
Compound name
tert-butyl 3-amino-3-cyanopyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

211.13208 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.13936 146.6
[M+Na]+ 234.12130 153.4
[M+NH4]+ 229.16590 150.5
[M+K]+ 250.09524 147.3
[M-H]- 210.12480 138.4
[M+Na-2H]- 232.10675 147.8
[M]+ 211.13153 144.1
[M]- 211.13263 144.1
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