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]+ 181.06078 134.6
[M+Na]+ 203.04272 142.0
[M-H]- 179.04622 140.2
[M+NH4]+ 198.08732 153.8
[M+K]+ 219.01666 142.6
[M+H-H2O]+ 163.05076 128.9
[M+HCOO]- 225.05170 158.0
[M+CH3COO]- 239.06735 182.2
[M+Na-2H]- 201.02817 142.7
[M]+ 180.05295 134.4
[M]- 180.05405 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

patents stripe