CID 9583345

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

Structural Information

Molecular Formula
C8H8N2O3
SMILES
C1OC2=C(O1)C=C(C=C2)/C(=N/O)/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

16
Patents

180.0535 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.060776 134.6
[M+Na]+ 203.042718 142.0
[M-H]- 179.046224 140.2
[M+NH4]+ 198.087323 153.8
[M+K]+ 219.016658 142.6
[M+H-H2O]+ 163.050760 128.9
[M+HCOO]- 225.051701 158.0
[M+CH3COO]- 239.067351 182.2
[M+Na-2H]- 201.028166 142.7
[M]+ 180.05295142 134.4
[M]- 180.05404858 134.4
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.