CID 788106

13972-97-9

Structural Information

Molecular Formula
C11H9NO4
SMILES
COC(=O)C1=C(C2=CC=CC=C2C(=O)N1)O
InChI
InChI=1S/C11H9NO4/c1-16-11(15)8-9(13)6-4-2-3-5-7(6)10(14)12-8/h2-5,13H,1H3,(H,12,14)
InChIKey
JOURGLFWVLLAPY-UHFFFAOYSA-N
Compound name
methyl 4-hydroxy-1-oxo-2H-isoquinoline-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

32
Patents

219.05316 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.06044 144.3
[M+Na]+ 242.04238 157.5
[M+NH4]+ 237.08698 151.0
[M+K]+ 258.01632 152.6
[M-H]- 218.04588 144.4
[M+Na-2H]- 240.02783 149.3
[M]+ 219.05261 146.0
[M]- 219.05371 146.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe