CID 137333220

2253621-15-5

Structural Information

Molecular Formula
C9H13BrN2O2S
SMILES
CC1=NC(=C(S1)Br)NC(=O)OC(C)(C)C
InChI
InChI=1S/C9H13BrN2O2S/c1-5-11-7(6(10)15-5)12-8(13)14-9(2,3)4/h1-4H3,(H,12,13)
InChIKey
MRNFEPGRRKTIDB-UHFFFAOYSA-N
Compound name
tert-butyl N-(5-bromo-2-methyl-1,3-thiazol-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.9881 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.99538 152.0
[M+Na]+ 314.97732 164.5
[M-H]- 290.98082 158.0
[M+NH4]+ 310.02192 172.8
[M+K]+ 330.95126 153.4
[M+H-H2O]+ 274.98536 151.8
[M+HCOO]- 336.98630 167.8
[M+CH3COO]- 351.00195 196.8
[M+Na-2H]- 312.96277 155.3
[M]+ 291.98755 174.4
[M]- 291.98865 174.4
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.