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 145.6
[M+Na]+ 259.04377 152.5
[M-H]- 235.04727 149.6
[M+NH4]+ 254.08837 158.6
[M+K]+ 275.01771 147.1
[M+H-H2O]+ 219.05181 141.9
[M+HCOO]- 281.05275 168.3
[M+CH3COO]- 295.06840 182.6
[M+Na-2H]- 257.02922 153.1
[M]+ 236.05400 143.2
[M]- 236.05510 143.2
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.