CID 71629112

1421020-61-2

Structural Information

Molecular Formula
C12H19N3O2S
SMILES
CC(C)(C)OC(=O)N[C@@H]1CCN(C1)C2=NC=CS2
InChI
InChI=1S/C12H19N3O2S/c1-12(2,3)17-11(16)14-9-4-6-15(8-9)10-13-5-7-18-10/h5,7,9H,4,6,8H2,1-3H3,(H,14,16)/t9-/m1/s1
InChIKey
JTJAKTMVQANUAW-SECBINFHSA-N
Compound name
tert-butyl N-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1198 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.12708 164.5
[M+Na]+ 292.10902 170.8
[M-H]- 268.11252 169.0
[M+NH4]+ 287.15362 182.3
[M+K]+ 308.08296 169.3
[M+H-H2O]+ 252.11706 157.6
[M+HCOO]- 314.11800 179.9
[M+CH3COO]- 328.13365 194.4
[M+Na-2H]- 290.09447 163.4
[M]+ 269.11925 165.8
[M]- 269.12035 165.8
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

No patent data available for this compound.