CID 125511568

2089277-64-3

Structural Information

Molecular Formula
C12H19N3O2S
SMILES
CC(C)(C)OC(=O)NCC1=NC2=C(S1)CCNC2
InChI
InChI=1S/C12H19N3O2S/c1-12(2,3)17-11(16)14-7-10-15-8-6-13-5-4-9(8)18-10/h13H,4-7H2,1-3H3,(H,14,16)
InChIKey
FFACFGNGHKIXKZ-UHFFFAOYSA-N
Compound name
tert-butyl N-(4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridin-2-ylmethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1198 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.12708 163.0
[M+Na]+ 292.10902 168.8
[M-H]- 268.11252 163.0
[M+NH4]+ 287.15362 179.4
[M+K]+ 308.08296 165.7
[M+H-H2O]+ 252.11706 156.7
[M+HCOO]- 314.11800 174.3
[M+CH3COO]- 328.13365 193.5
[M+Na-2H]- 290.09447 164.8
[M]+ 269.11925 162.9
[M]- 269.12035 162.9
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.