CID 3040215

51807-88-6

Structural Information

Molecular Formula
C9H8N4O4
SMILES
C1=CC(=CC=C1C(C2=NOC(=N2)N)O)[N+](=O)[O-]
InChI
InChI=1S/C9H8N4O4/c10-9-11-8(12-17-9)7(14)5-1-3-6(4-2-5)13(15)16/h1-4,7,14H,(H2,10,11,12)
InChIKey
HUWDMAXPQDDUFG-UHFFFAOYSA-N
Compound name
(5-amino-1,2,4-oxadiazol-3-yl)-(4-nitrophenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.05455 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.06183 146.1
[M+Na]+ 259.04377 157.6
[M+NH4]+ 254.08837 151.8
[M+K]+ 275.01771 159.2
[M-H]- 235.04727 149.9
[M+Na-2H]- 257.02922 151.5
[M]+ 236.05400 148.3
[M]- 236.05510 148.3
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

No patent data available for this compound.