CID 12107040

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

Structural Information

Molecular Formula
C8H8N4O
SMILES
CNC1=NN=C(O1)C2=CC=CC=N2
InChI
InChI=1S/C8H8N4O/c1-9-8-12-11-7(13-8)6-4-2-3-5-10-6/h2-5H,1H3,(H,9,12)
InChIKey
MAHBHFKQHHSXDZ-UHFFFAOYSA-N
Compound name
N-methyl-5-pyridin-2-yl-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

176.06981 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.077086 134.2
[M+Na]+ 199.059028 143.6
[M-H]- 175.062534 138.1
[M+NH4]+ 194.103633 150.4
[M+K]+ 215.032968 142.2
[M+H-H2O]+ 159.067070 125.3
[M+HCOO]- 221.068011 157.7
[M+CH3COO]- 235.083661 147.9
[M+Na-2H]- 197.044476 143.2
[M]+ 176.06926142 135.2
[M]- 176.07035858 135.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.