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

520
References

81876
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

literature stripe

Patent stripe

patents stripe