CID 270750

Refchem:887791

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

119
Patents

174.07932 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.086596 134.5
[M+Na]+ 197.068538 145.0
[M-H]- 173.072044 140.0
[M+NH4]+ 192.113143 153.0
[M+K]+ 213.042478 143.4
[M+H-H2O]+ 157.076580 127.1
[M+HCOO]- 219.077521 157.8
[M+CH3COO]- 233.093171 149.1
[M+Na-2H]- 195.053986 141.5
[M]+ 174.07877142 136.9
[M]- 174.07986858 136.9
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