CID 130785428

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.05858 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.06586 136.7
[M+Na]+ 211.04780 147.3
[M-H]- 187.05130 142.2
[M+NH4]+ 206.09240 154.3
[M+K]+ 227.02174 145.6
[M+H-H2O]+ 171.05584 129.1
[M+HCOO]- 233.05678 160.3
[M+CH3COO]- 247.07243 180.7
[M+Na-2H]- 209.03325 143.6
[M]+ 188.05803 139.7
[M]- 188.05913 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

No patent data available for this compound.