CID 92043003

8-aminoisoquinoline-5-carboxylic acid

Structural Information

Molecular Formula
C10H8N2O2
SMILES
C1=CC(=C2C=NC=CC2=C1C(=O)O)N
InChI
InChI=1S/C10H8N2O2/c11-9-2-1-7(10(13)14)6-3-4-12-5-8(6)9/h1-5H,11H2,(H,13,14)
InChIKey
BFNMFLWKYODNIA-UHFFFAOYSA-N
Compound name
8-aminoisoquinoline-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.05858 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.06586 137.2
[M+Na]+ 211.04780 146.1
[M-H]- 187.05130 139.2
[M+NH4]+ 206.09240 155.5
[M+K]+ 227.02174 142.7
[M+H-H2O]+ 171.05584 130.7
[M+HCOO]- 233.05678 158.5
[M+CH3COO]- 247.07243 182.6
[M+Na-2H]- 209.03325 144.5
[M]+ 188.05803 135.5
[M]- 188.05913 135.5
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.