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

16
Patents

189.09021 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.097486 140.1
[M+Na]+ 212.079428 150.5
[M-H]- 188.082934 145.5
[M+NH4]+ 207.124033 157.6
[M+K]+ 228.053368 148.4
[M+H-H2O]+ 172.087470 132.4
[M+HCOO]- 234.088411 163.7
[M+CH3COO]- 248.104061 154.1
[M+Na-2H]- 210.064876 145.6
[M]+ 189.08966142 141.1
[M]- 189.09075858 141.1
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