CID 74788348

3-bromo-5-tert-butyl-1,2,4-oxadiazole

Structural Information

Molecular Formula
C6H9BrN2O
SMILES
CC(C)(C)C1=NC(=NO1)Br
InChI
InChI=1S/C6H9BrN2O/c1-6(2,3)4-8-5(7)9-10-4/h1-3H3
InChIKey
LEFVEWIUWCRZFA-UHFFFAOYSA-N
Compound name
3-bromo-5-tert-butyl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.98982 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.997096 135.7
[M+Na]+ 226.979038 149.2
[M-H]- 202.982544 140.8
[M+NH4]+ 222.023643 156.9
[M+K]+ 242.952978 140.8
[M+H-H2O]+ 186.987080 136.0
[M+HCOO]- 248.988021 155.0
[M+CH3COO]- 263.003671 181.2
[M+Na-2H]- 224.964486 144.8
[M]+ 203.98927142 156.6
[M]- 203.99036858 156.6
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.