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]+ 204.99710 135.7
[M+Na]+ 226.97904 149.2
[M-H]- 202.98254 140.8
[M+NH4]+ 222.02364 156.9
[M+K]+ 242.95298 140.8
[M+H-H2O]+ 186.98708 136.0
[M+HCOO]- 248.98802 155.0
[M+CH3COO]- 263.00367 181.2
[M+Na-2H]- 224.96449 144.8
[M]+ 203.98927 156.6
[M]- 203.99037 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.