CID 52987861

Tert-butyl (2-bromothiazol-4-yl)carbamate

Structural Information

Molecular Formula
C8H11BrN2O2S
SMILES
CC(C)(C)OC(=O)NC1=CSC(=N1)Br
InChI
InChI=1S/C8H11BrN2O2S/c1-8(2,3)13-7(12)11-5-4-14-6(9)10-5/h4H,1-3H3,(H,11,12)
InChIKey
DWCKSUYBQZIMIG-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-bromo-1,3-thiazol-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

277.97247 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.97975 148.0
[M+Na]+ 300.96169 147.9
[M+NH4]+ 296.00629 151.6
[M+K]+ 316.93563 150.0
[M-H]- 276.96519 146.7
[M+Na-2H]- 298.94714 149.1
[M]+ 277.97192 146.6
[M]- 277.97302 146.6
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