CID 2803591

4720-72-3

Structural Information

Molecular Formula

C₈H₈N₂O₃

SMILES

C1OC2=C(O1)C=C(C=C2)C(=NO)N

InChI

InChI=1S/C8H8N2O3/c9-8(10-11)5-1-2-6-7(3-5)13-4-12-6/h1-3,11H,4H2,(H2,9,10)

InChIKey

GZXSHCHKXXMZQP-UHFFFAOYSA-N

Compound name

N'-hydroxy-1,3-benzodioxole-5-carboximidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 180.0535 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	181.06078	136.0
[M+Na]+	203.04272	145.7
[M+NH4]+	198.08732	143.7
[M+K]+	219.01666	143.9
[M-H]-	179.04622	140.4
[M+Na-2H]-	201.02817	139.4
[M]+	180.05295	138.2
[M]-	180.05405	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe