CID 645715

85084-37-3

Structural Information

Molecular Formula
C9H10N2O3
SMILES
C1C(OC2=CC=CC=C2O1)C(=NO)N
InChI
InChI=1S/C9H10N2O3/c10-9(11-12)8-5-13-6-3-1-2-4-7(6)14-8/h1-4,8,12H,5H2,(H2,10,11)
InChIKey
AINNARSDQRBELY-UHFFFAOYSA-N
Compound name
N'-hydroxy-2,3-dihydro-1,4-benzodioxine-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

1
Patents

194.06914 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.076416 139.3
[M+Na]+ 217.058358 145.5
[M-H]- 193.061864 144.5
[M+NH4]+ 212.102963 156.0
[M+K]+ 233.032298 146.1
[M+H-H2O]+ 177.066400 132.6
[M+HCOO]- 239.067341 160.3
[M+CH3COO]- 253.082991 185.8
[M+Na-2H]- 215.043806 148.2
[M]+ 194.06859142 137.3
[M]- 194.06968858 137.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.