CID 25192

10350-69-3

Structural Information

Molecular Formula
C8H7N3O
SMILES
CC1=NC(=NO1)C2=CN=CC=C2
InChI
InChI=1S/C8H7N3O/c1-6-10-8(11-12-6)7-3-2-4-9-5-7/h2-5H,1H3
InChIKey
UPZLTNFTZQZHHR-UHFFFAOYSA-N
Compound name
5-methyl-3-pyridin-3-yl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

161.05891 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.06619 130.0
[M+Na]+ 184.04813 140.4
[M-H]- 160.05163 133.9
[M+NH4]+ 179.09273 147.2
[M+K]+ 200.02207 139.1
[M+H-H2O]+ 144.05617 121.6
[M+HCOO]- 206.05711 152.5
[M+CH3COO]- 220.07276 144.3
[M+Na-2H]- 182.03358 138.5
[M]+ 161.05836 131.7
[M]- 161.05946 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