CID 1252769

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

Structural Information

Molecular Formula
C3H2N4O
SMILES
C(#N)C1=NON=C1N
InChI
InChI=1S/C3H2N4O/c4-1-2-3(5)7-8-6-2/h(H2,5,7)
InChIKey
SJAYVHFNURJLAG-UHFFFAOYSA-N
Compound name
4-amino-1,2,5-oxadiazole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

113
Patents

110.02286 Da
Monoisotopic Mass

0.0
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

literature stripe

Patent stripe

patents stripe