CID 12728457

N-methyl-3-phenyl-1,2,4-oxadiazol-5-amine

Structural Information

Molecular Formula
C9H9N3O
SMILES
CNC1=NC(=NO1)C2=CC=CC=C2
InChI
InChI=1S/C9H9N3O/c1-10-9-11-8(12-13-9)7-5-3-2-4-6-7/h2-6H,1H3,(H,10,11,12)
InChIKey
ASCRDDKMHIKBII-UHFFFAOYSA-N
Compound name
N-methyl-3-phenyl-1,2,4-oxadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

175.07455 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.08183 135.3
[M+Na]+ 198.06377 148.8
[M+NH4]+ 193.10837 143.6
[M+K]+ 214.03771 144.6
[M-H]- 174.06727 140.0
[M+Na-2H]- 196.04922 144.0
[M]+ 175.07400 138.5
[M]- 175.07510 138.5
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

patents stripe