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

87
Patents

277.97247 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.979746 148.2
[M+Na]+ 300.961688 160.3
[M-H]- 276.965194 154.0
[M+NH4]+ 296.006293 169.2
[M+K]+ 316.935628 149.5
[M+H-H2O]+ 260.969730 147.9
[M+HCOO]- 322.970671 164.4
[M+CH3COO]- 336.986321 192.9
[M+Na-2H]- 298.947136 152.5
[M]+ 277.97192142 169.9
[M]- 277.97301858 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