CID 57306949

6-methoxyisoquinoline-3-carboxylic acid

Structural Information

Molecular Formula
C11H9NO3
SMILES
COC1=CC2=CC(=NC=C2C=C1)C(=O)O
InChI
InChI=1S/C11H9NO3/c1-15-9-3-2-7-6-12-10(11(13)14)5-8(7)4-9/h2-6H,1H3,(H,13,14)
InChIKey
SFEQSLNFFNHBJP-UHFFFAOYSA-N
Compound name
6-methoxyisoquinoline-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

203.05824 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06552 140.3
[M+Na]+ 226.04746 149.5
[M-H]- 202.05096 142.7
[M+NH4]+ 221.09206 158.5
[M+K]+ 242.02140 146.9
[M+H-H2O]+ 186.05550 133.7
[M+HCOO]- 248.05644 161.1
[M+CH3COO]- 262.07209 183.3
[M+Na-2H]- 224.03291 147.7
[M]+ 203.05769 142.1
[M]- 203.05879 142.1
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