CID 1244573

4-(1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-amine

Structural Information

Molecular Formula
C4H3N5O2
SMILES
C1=NC(=NO1)C2=NON=C2N
InChI
InChI=1S/C4H3N5O2/c5-3-2(7-11-8-3)4-6-1-10-9-4/h1H,(H2,5,8)
InChIKey
XHCUQOVMSNRPKS-UHFFFAOYSA-N
Compound name
4-(1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.02867 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.03595 123.5
[M+Na]+ 176.01789 135.3
[M-H]- 152.02139 127.3
[M+NH4]+ 171.06249 139.5
[M+K]+ 191.99183 136.0
[M+H-H2O]+ 136.02593 115.2
[M+HCOO]- 198.02687 147.6
[M+CH3COO]- 212.04252 138.4
[M+Na-2H]- 174.00334 131.9
[M]+ 153.02812 126.8
[M]- 153.02922 126.8
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