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]+ 270.12708 164.7
[M+Na]+ 292.10902 171.8
[M-H]- 268.11252 169.0
[M+NH4]+ 287.15362 182.5
[M+K]+ 308.08296 169.8
[M+H-H2O]+ 252.11706 158.1
[M+HCOO]- 314.11800 179.3
[M+CH3COO]- 328.13365 195.0
[M+Na-2H]- 290.09447 161.9
[M]+ 269.11925 165.3
[M]- 269.12035 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