CID 67057241

1159979-16-4

Structural Information

Molecular Formula
C8H6BrN3O
SMILES
CC1=NN=C(O1)C2=CC(=CN=C2)Br
InChI
InChI=1S/C8H6BrN3O/c1-5-11-12-8(13-5)6-2-7(9)4-10-3-6/h2-4H,1H3
InChIKey
QOWXQGKJEUSYGT-UHFFFAOYSA-N
Compound name
2-(5-bromopyridin-3-yl)-5-methyl-1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

238.96942 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.97670 139.5
[M+Na]+ 261.95864 153.6
[M-H]- 237.96214 146.4
[M+NH4]+ 257.00324 157.8
[M+K]+ 277.93258 144.1
[M+H-H2O]+ 221.96668 138.2
[M+HCOO]- 283.96762 159.8
[M+CH3COO]- 297.98327 155.3
[M+Na-2H]- 259.94409 148.3
[M]+ 238.96887 160.3
[M]- 238.96997 160.3
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

patents stripe