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]+ 177.07709 134.2
[M+Na]+ 199.05903 143.6
[M-H]- 175.06253 138.1
[M+NH4]+ 194.10363 150.4
[M+K]+ 215.03297 142.2
[M+H-H2O]+ 159.06707 125.3
[M+HCOO]- 221.06801 157.7
[M+CH3COO]- 235.08366 147.9
[M+Na-2H]- 197.04448 143.2
[M]+ 176.06926 135.2
[M]- 176.07036 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.