CID 81689428

6-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine

Structural Information

Molecular Formula
C8H8N4O
SMILES
CC1=NOC(=N1)C2=NC=C(C=C2)N
InChI
InChI=1S/C8H8N4O/c1-5-11-8(13-12-5)7-3-2-6(9)4-10-7/h2-4H,9H2,1H3
InChIKey
SMKOOXNQYHVCAF-UHFFFAOYSA-N
Compound name
6-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

176.06981 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.077086 135.3
[M+Na]+ 199.059028 145.7
[M-H]- 175.062534 139.2
[M+NH4]+ 194.103633 151.6
[M+K]+ 215.032968 143.8
[M+H-H2O]+ 159.067070 126.7
[M+HCOO]- 221.068011 158.2
[M+CH3COO]- 235.083661 149.0
[M+Na-2H]- 197.044476 142.4
[M]+ 176.06926142 135.7
[M]- 176.07035858 135.7
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