CID 21025706

22926-74-5

Structural Information

Molecular Formula
C8H7N3O
SMILES
CC1=NOC(=N1)C2=CC=NC=C2
InChI
InChI=1S/C8H7N3O/c1-6-10-8(12-11-6)7-2-4-9-5-3-7/h2-5H,1H3
InChIKey
UTDAFKFEIXDFSW-UHFFFAOYSA-N
Compound name
3-methyl-5-pyridin-4-yl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

161.05891 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.066186 130.0
[M+Na]+ 184.048128 140.4
[M-H]- 160.051634 133.9
[M+NH4]+ 179.092733 147.2
[M+K]+ 200.022068 139.1
[M+H-H2O]+ 144.056170 121.6
[M+HCOO]- 206.057111 152.5
[M+CH3COO]- 220.072761 144.3
[M+Na-2H]- 182.033576 138.5
[M]+ 161.05836142 131.7
[M]- 161.05945858 131.7
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