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]+ 218.09241 144.3
[M+Na]+ 240.07435 152.7
[M-H]- 216.07785 147.5
[M+NH4]+ 235.11895 161.8
[M+K]+ 256.04829 149.3
[M+H-H2O]+ 200.08239 136.9
[M+HCOO]- 262.08333 168.1
[M+CH3COO]- 276.09898 191.8
[M+Na-2H]- 238.05980 152.0
[M]+ 217.08458 143.4
[M]- 217.08568 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.