CID 22715990

5-amino-1,2,4-oxadiazole-3-carbonitrile

Structural Information

Molecular Formula
C3H2N4O
SMILES
C(#N)C1=NOC(=N1)N
InChI
InChI=1S/C3H2N4O/c4-1-2-6-3(5)8-7-2/h(H2,5,6,7)
InChIKey
WEFDLJVQMNIDIF-UHFFFAOYSA-N
Compound name
5-amino-1,2,4-oxadiazole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

110.02286 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.03014 114.3
[M+Na]+ 133.01208 125.2
[M-H]- 109.01558 115.0
[M+NH4]+ 128.05668 132.0
[M+K]+ 148.98602 125.5
[M+H-H2O]+ 93.020120 100.3
[M+HCOO]- 155.02106 134.5
[M+CH3COO]- 169.03671 180.9
[M+Na-2H]- 130.99753 122.1
[M]+ 110.02231 109.0
[M]- 110.02341 109.0
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