CID 9588648

85475-49-6

Structural Information

Molecular Formula
C11H11N3O2
SMILES
C1=CC=C2C(=C1)C=CN(C2=O)C/C(=N/O)/N
InChI
InChI=1S/C11H11N3O2/c12-10(13-16)7-14-6-5-8-3-1-2-4-9(8)11(14)15/h1-6,16H,7H2,(H2,12,13)
InChIKey
GIGRWRZBFDLCES-UHFFFAOYSA-N
Compound name
N'-hydroxy-2-(1-oxoisoquinolin-2-yl)ethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.08513 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.092406 144.3
[M+Na]+ 240.074348 152.7
[M-H]- 216.077854 147.5
[M+NH4]+ 235.118953 161.8
[M+K]+ 256.048288 149.3
[M+H-H2O]+ 200.082390 136.9
[M+HCOO]- 262.083331 168.1
[M+CH3COO]- 276.098981 191.8
[M+Na-2H]- 238.059796 152.0
[M]+ 217.08458142 143.4
[M]- 217.08567858 143.4
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.