CID 135533434

882288-29-1

Structural Information

Molecular Formula
C7H6N4O2
SMILES
C1=CC2=NON=C2C=C1/C(=N/O)/N
InChI
InChI=1S/C7H6N4O2/c8-7(9-12)4-1-2-5-6(3-4)11-13-10-5/h1-3,12H,(H2,8,9)
InChIKey
OJACFSFQINRGNT-UHFFFAOYSA-N
Compound name
N'-hydroxy-2,1,3-benzoxadiazole-5-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.04907 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.056346 132.1
[M+Na]+ 201.038288 142.0
[M-H]- 177.041794 135.2
[M+NH4]+ 196.082893 150.3
[M+K]+ 217.012228 140.9
[M+H-H2O]+ 161.046330 124.6
[M+HCOO]- 223.047271 157.0
[M+CH3COO]- 237.062921 181.7
[M+Na-2H]- 199.023736 141.7
[M]+ 178.04852142 133.4
[M]- 178.04961858 133.4
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.