CID 146049050

2307781-69-5

Structural Information

Molecular Formula
C8H11BrN2O3
SMILES
CC(C)(C)OC(=O)NC1=CC(=NO1)Br
InChI
InChI=1S/C8H11BrN2O3/c1-8(2,3)13-7(12)10-6-4-5(9)11-14-6/h4H,1-3H3,(H,10,12)
InChIKey
WUHHNSWNFWWSSP-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-bromo-1,2-oxazol-5-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.9953 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.00258 150.6
[M+Na]+ 284.98452 162.0
[M-H]- 260.98802 156.6
[M+NH4]+ 280.02912 170.2
[M+K]+ 300.95846 153.5
[M+H-H2O]+ 244.99256 150.0
[M+HCOO]- 306.99350 170.8
[M+CH3COO]- 321.00915 191.3
[M+Na-2H]- 282.96997 157.9
[M]+ 261.99475 172.0
[M]- 261.99585 172.0
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.