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]+ 179.045116 130.9
[M+Na]+ 201.027058 141.1
[M-H]- 177.030564 134.4
[M+NH4]+ 196.071663 148.7
[M+K]+ 217.000998 139.4
[M+H-H2O]+ 161.035100 124.2
[M+HCOO]- 223.036041 153.9
[M+CH3COO]- 237.051691 178.5
[M+Na-2H]- 199.012506 142.3
[M]+ 178.03729142 132.3
[M]- 178.03838858 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.