CID 18468721

Isoquinoline-7-carboxylic acid

Structural Information

Molecular Formula
C10H7NO2
SMILES
C1=CC(=CC2=C1C=CN=C2)C(=O)O
InChI
InChI=1S/C10H7NO2/c12-10(13)8-2-1-7-3-4-11-6-9(7)5-8/h1-6H,(H,12,13)
InChIKey
QUFUUBBLCOBJPH-UHFFFAOYSA-N
Compound name
isoquinoline-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

214
Patents

173.04768 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.05496 133.6
[M+Na]+ 196.03690 147.8
[M+NH4]+ 191.08150 142.3
[M+K]+ 212.01084 141.4
[M-H]- 172.04040 135.4
[M+Na-2H]- 194.02235 141.1
[M]+ 173.04713 136.1
[M]- 173.04823 136.1
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