CID 37818915

871716-68-6

Structural Information

Molecular Formula
C12H19N3O2S
SMILES
CC(C)(C)OC(=O)N1CCC[C@@H]1C2=CSC(=N2)N
InChI
InChI=1S/C12H19N3O2S/c1-12(2,3)17-11(16)15-6-4-5-9(15)8-7-18-10(13)14-8/h7,9H,4-6H2,1-3H3,(H2,13,14)/t9-/m1/s1
InChIKey
FENBXFSBJDNUKQ-SECBINFHSA-N
Compound name
tert-butyl (2R)-2-(2-amino-1,3-thiazol-4-yl)pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

269.1198 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.12708 163.3
[M+Na]+ 292.10902 170.3
[M+NH4]+ 287.15362 169.7
[M+K]+ 308.08296 168.6
[M-H]- 268.11252 163.8
[M+Na-2H]- 290.09447 165.8
[M]+ 269.11925 164.5
[M]- 269.12035 164.5
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