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]+ 195.07642 139.3
[M+Na]+ 217.05836 145.5
[M-H]- 193.06186 144.5
[M+NH4]+ 212.10296 156.0
[M+K]+ 233.03230 146.1
[M+H-H2O]+ 177.06640 132.6
[M+HCOO]- 239.06734 160.3
[M+CH3COO]- 253.08299 185.8
[M+Na-2H]- 215.04381 148.2
[M]+ 194.06859 137.3
[M]- 194.06969 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.