CID 86811766

1803566-31-5

Structural Information

Molecular Formula
C10H15BrN2O2S
SMILES
CC(C)(C)OC(=O)NCCC1=CSC(=N1)Br
InChI
InChI=1S/C10H15BrN2O2S/c1-10(2,3)15-9(14)12-5-4-7-6-16-8(11)13-7/h6H,4-5H2,1-3H3,(H,12,14)
InChIKey
XQIWDCFENCGYGA-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-(2-bromo-1,3-thiazol-4-yl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.00375 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.01103 157.1
[M+Na]+ 328.99297 168.3
[M-H]- 304.99647 162.5
[M+NH4]+ 324.03757 177.0
[M+K]+ 344.96691 157.1
[M+H-H2O]+ 289.00101 156.4
[M+HCOO]- 351.00195 172.6
[M+CH3COO]- 365.01760 198.4
[M+Na-2H]- 326.97842 160.5
[M]+ 306.00320 179.5
[M]- 306.00430 179.5
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.