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

23
Patents

211.13208 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.139356 150.0
[M+Na]+ 234.121298 158.3
[M-H]- 210.124804 151.5
[M+NH4]+ 229.165903 168.6
[M+K]+ 250.095238 156.6
[M+H-H2O]+ 194.129340 138.1
[M+HCOO]- 256.130281 166.0
[M+CH3COO]- 270.145931 198.0
[M+Na-2H]- 232.106746 152.8
[M]+ 211.13153142 143.3
[M]- 211.13262858 143.3
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