CID 9588663

(isoquinolinyl-5)oxy-2 propionamidoxime chlorhydrate [french]

Structural Information

Molecular Formula
C12H13N3O2
SMILES
CC(/C(=N\O)/N)OC1=CC=CC2=C1C=CN=C2
InChI
InChI=1S/C12H13N3O2/c1-8(12(13)15-16)17-11-4-2-3-9-7-14-6-5-10(9)11/h2-8,16H,1H3,(H2,13,15)
InChIKey
MEAQDJNLUKTMNR-UHFFFAOYSA-N
Compound name
N'-hydroxy-2-isoquinolin-5-yloxypropanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.10077 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.10805 149.7
[M+Na]+ 254.08999 156.1
[M-H]- 230.09349 152.3
[M+NH4]+ 249.13459 166.2
[M+K]+ 270.06393 153.6
[M+H-H2O]+ 214.09803 141.9
[M+HCOO]- 276.09897 171.9
[M+CH3COO]- 290.11462 195.3
[M+Na-2H]- 252.07544 156.4
[M]+ 231.10022 148.7
[M]- 231.10132 148.7
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.