CID 270750

81386-30-3

Structural Information

Molecular Formula
C10H10N2O
SMILES
CC1=CC=C(C=C1)C2=NOC(=N2)C
InChI
InChI=1S/C10H10N2O/c1-7-3-5-9(6-4-7)10-11-8(2)13-12-10/h3-6H,1-2H3
InChIKey
OYGSEQYNSZOSCE-UHFFFAOYSA-N
Compound name
5-methyl-3-(4-methylphenyl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

174.07932 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.08660 135.3
[M+Na]+ 197.06854 150.3
[M+NH4]+ 192.11314 144.0
[M+K]+ 213.04248 145.6
[M-H]- 173.07204 139.8
[M+Na-2H]- 195.05399 143.9
[M]+ 174.07877 138.8
[M]- 174.07987 138.8
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