CID 37818915

Tert-butyl (2r)-2-(2-amino-1,3-thiazol-4-yl)pyrrolidine-1-carboxylate

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]+ 270.127076 164.7
[M+Na]+ 292.109018 171.8
[M-H]- 268.112524 169.0
[M+NH4]+ 287.153623 182.5
[M+K]+ 308.082958 169.8
[M+H-H2O]+ 252.117060 158.1
[M+HCOO]- 314.118001 179.3
[M+CH3COO]- 328.133651 195.0
[M+Na-2H]- 290.094466 161.9
[M]+ 269.11925142 165.3
[M]- 269.12034858 165.3
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