CID 46911876

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

95
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

No literature data available for this compound.

Patent stripe

patents stripe