CID 21300388

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

Structural Information

Molecular Formula
C8H11BrN2O2S
SMILES
CC(C)(C)OC(=O)NC1=NC=C(S1)Br
InChI
InChI=1S/C8H11BrN2O2S/c1-8(2,3)13-7(12)11-6-10-4-5(9)14-6/h4H,1-3H3,(H,10,11,12)
InChIKey
OIBKBVFFZYCBAQ-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-bromo-1,3-thiazol-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

380
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 148.2
[M+Na]+ 300.96169 160.3
[M-H]- 276.96519 154.0
[M+NH4]+ 296.00629 169.2
[M+K]+ 316.93563 149.5
[M+H-H2O]+ 260.96973 147.9
[M+HCOO]- 322.97067 164.4
[M+CH3COO]- 336.98632 192.9
[M+Na-2H]- 298.94714 152.5
[M]+ 277.97192 169.9
[M]- 277.97302 169.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe