CID 17991084

1,2,4-oxadiazol-3-amine

Structural Information

Molecular Formula
C2H3N3O
SMILES
C1=NC(=NO1)N
InChI
InChI=1S/C2H3N3O/c3-2-4-1-6-5-2/h1H,(H2,3,5)
InChIKey
XWESVPXIDGLPNX-UHFFFAOYSA-N
Compound name
1,2,4-oxadiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

595
Patents

85.02761 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 86.034886 109.7
[M+Na]+ 108.01683 119.2
[M-H]- 84.020334 111.3
[M+NH4]+ 103.06143 130.7
[M+K]+ 123.99077 120.1
[M+H-H2O]+ 68.024870 103.1
[M+HCOO]- 130.02581 134.3
[M+CH3COO]- 144.04146 161.6
[M+Na-2H]- 106.00228 119.3
[M]+ 85.027061 109.0
[M]- 85.028159 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