CID 11693989

903891-95-2

Structural Information

Molecular Formula
C8H6N2O3
SMILES
C1=CC=C2C(=C1)N=C(C(=O)O2)NO
InChI
InChI=1S/C8H6N2O3/c11-8-7(10-12)9-5-3-1-2-4-6(5)13-8/h1-4,12H,(H,9,10)
InChIKey
KMOBWALLLLBKRU-UHFFFAOYSA-N
Compound name
3-(hydroxyamino)-1,4-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.03784 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.04512 130.9
[M+Na]+ 201.02706 141.1
[M-H]- 177.03056 134.4
[M+NH4]+ 196.07166 148.7
[M+K]+ 217.00100 139.4
[M+H-H2O]+ 161.03510 124.2
[M+HCOO]- 223.03604 153.9
[M+CH3COO]- 237.05169 178.5
[M+Na-2H]- 199.01251 142.3
[M]+ 178.03729 132.3
[M]- 178.03839 132.3
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.