CID 20120079

5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine

Structural Information

Molecular Formula
C10H11N3O
SMILES
CC1=CC(=C(C=C1)C2=NN=C(O2)N)C
InChI
InChI=1S/C10H11N3O/c1-6-3-4-8(7(2)5-6)9-12-13-10(11)14-9/h3-5H,1-2H3,(H2,11,13)
InChIKey
WMTJZHAGZHSWNQ-UHFFFAOYSA-N
Compound name
5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

189.09021 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.09749 140.0
[M+Na]+ 212.07943 153.8
[M+NH4]+ 207.12403 148.0
[M+K]+ 228.05337 149.9
[M-H]- 188.08293 144.7
[M+Na-2H]- 210.06488 147.5
[M]+ 189.08966 143.3
[M]- 189.09076 143.3
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