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

6
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 134.2
[M+Na]+ 198.06377 143.1
[M-H]- 174.06727 139.4
[M+NH4]+ 193.10837 151.8
[M+K]+ 214.03771 141.7
[M+H-H2O]+ 158.07181 126.1
[M+HCOO]- 220.07275 158.8
[M+CH3COO]- 234.08840 148.2
[M+Na-2H]- 196.04922 142.8
[M]+ 175.07400 135.0
[M]- 175.07510 135.0
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