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 156.7
[M+Na]+ 328.99297 156.2
[M+NH4]+ 324.03757 160.0
[M+K]+ 344.96691 157.8
[M-H]- 304.99647 155.2
[M+Na-2H]- 326.97842 157.2
[M]+ 306.00320 155.2
[M]- 306.00430 155.2
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.