CID 119056951

Tert-butyl n-(5-iodo-1,3-thiazol-2-yl)carbamate

Structural Information

Molecular Formula
C8H11IN2O2S
SMILES
CC(C)(C)OC(=O)NC1=NC=C(S1)I
InChI
InChI=1S/C8H11IN2O2S/c1-8(2,3)13-7(12)11-6-10-4-5(9)14-6/h4H,1-3H3,(H,10,11,12)
InChIKey
CYJTZVZDJQUKIE-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-iodo-1,3-thiazol-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.9586 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.96588 160.6
[M+Na]+ 348.94782 161.8
[M-H]- 324.95132 156.8
[M+NH4]+ 343.99242 175.3
[M+K]+ 364.92176 166.0
[M+H-H2O]+ 308.95586 151.0
[M+HCOO]- 370.95680 173.6
[M+CH3COO]- 384.97245 194.1
[M+Na-2H]- 346.93327 150.4
[M]+ 325.95805 161.3
[M]- 325.95915 161.3
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

No patent data available for this compound.