CID 50986405

Tert-butyl 3-amino-4-cyanopyrrolidine-1-carboxylate

Structural Information

Molecular Formula
C10H17N3O2
SMILES
CC(C)(C)OC(=O)N1CC(C(C1)N)C#N
InChI
InChI=1S/C10H17N3O2/c1-10(2,3)15-9(14)13-5-7(4-11)8(12)6-13/h7-8H,5-6,12H2,1-3H3
InChIKey
HTFUSRKVFAHZAU-UHFFFAOYSA-N
Compound name
tert-butyl 3-amino-4-cyanopyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

211.13208 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.13936 150.3
[M+Na]+ 234.12130 158.2
[M-H]- 210.12480 151.7
[M+NH4]+ 229.16590 167.2
[M+K]+ 250.09524 157.1
[M+H-H2O]+ 194.12934 137.6
[M+HCOO]- 256.13028 166.1
[M+CH3COO]- 270.14593 199.5
[M+Na-2H]- 232.10675 151.2
[M]+ 211.13153 143.5
[M]- 211.13263 143.5
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