CID 10655207

4-(5-methyl-1,3,4-oxadiazol-2-yl)benzaldehyde

Structural Information

Molecular Formula
C10H8N2O2
SMILES
CC1=NN=C(O1)C2=CC=C(C=C2)C=O
InChI
InChI=1S/C10H8N2O2/c1-7-11-12-10(14-7)9-4-2-8(6-13)3-5-9/h2-6H,1H3
InChIKey
MPECIJQJPPLBGV-UHFFFAOYSA-N
Compound name
4-(5-methyl-1,3,4-oxadiazol-2-yl)benzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

188.05858 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.065856 136.7
[M+Na]+ 211.047798 147.3
[M-H]- 187.051304 142.2
[M+NH4]+ 206.092403 154.3
[M+K]+ 227.021738 145.6
[M+H-H2O]+ 171.055840 129.1
[M+HCOO]- 233.056781 160.3
[M+CH3COO]- 247.072431 180.7
[M+Na-2H]- 209.033246 143.6
[M]+ 188.05803142 139.7
[M]- 188.05912858 139.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe