CID 115017235

6-methylisoquinoline-5-carboxylic acid

Structural Information

Molecular Formula
C11H9NO2
SMILES
CC1=C(C2=C(C=C1)C=NC=C2)C(=O)O
InChI
InChI=1S/C11H9NO2/c1-7-2-3-8-6-12-5-4-9(8)10(7)11(13)14/h2-6H,1H3,(H,13,14)
InChIKey
OFMFQCKAVYMADW-UHFFFAOYSA-N
Compound name
6-methylisoquinoline-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.06332 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.07060 137.9
[M+Na]+ 210.05254 152.3
[M+NH4]+ 205.09714 146.5
[M+K]+ 226.02648 145.8
[M-H]- 186.05604 139.8
[M+Na-2H]- 208.03799 144.9
[M]+ 187.06277 140.5
[M]- 187.06387 140.5
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.