CID 97428

1,3,4-oxadiazole

Structural Information

Molecular Formula
C2H2N2O
SMILES
C1=NN=CO1
InChI
InChI=1S/C2H2N2O/c1-3-4-2-5-1/h1-2H
InChIKey
FKASFBLJDCHBNZ-UHFFFAOYSA-N
Compound name
1,3,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

526
References

79957
Patents

70.016716 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 71.023992 105.0
[M+Na]+ 93.005934 114.5
[M-H]- 69.009440 106.7
[M+NH4]+ 88.050539 127.0
[M+K]+ 108.97987 116.1
[M+H-H2O]+ 53.013976 98.7
[M+HCOO]- 115.01492 129.3
[M+CH3COO]- 129.03057 156.6
[M+Na-2H]- 90.991382 116.1
[M]+ 70.016167 105.7
[M]- 70.017265 105.7
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.