CID 20497487

1,2,5-oxadiazole-3-carbaldehyde

Structural Information

Molecular Formula
C3H2N2O2
SMILES
C1=NON=C1C=O
InChI
InChI=1S/C3H2N2O2/c6-2-3-1-4-7-5-3/h1-2H
InChIKey
FVPKJLUCXSTBSP-UHFFFAOYSA-N
Compound name
1,2,5-oxadiazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

118
Patents

98.01163 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 99.018906 111.4
[M+Na]+ 121.00085 121.6
[M-H]- 97.004354 113.4
[M+NH4]+ 116.04545 132.4
[M+K]+ 136.97479 122.7
[M+H-H2O]+ 81.008890 105.1
[M+HCOO]- 143.00983 135.7
[M+CH3COO]- 157.02548 161.8
[M+Na-2H]- 118.98630 121.2
[M]+ 98.011081 113.6
[M]- 98.012179 113.6
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