CID 254871

6-methoxyisoquinolin-7-ol

Structural Information

Molecular Formula
C10H9NO2
SMILES
COC1=C(C=C2C=NC=CC2=C1)O
InChI
InChI=1S/C10H9NO2/c1-13-10-5-7-2-3-11-6-8(7)4-9(10)12/h2-6,12H,1H3
InChIKey
XBFVDMIXKWTTFA-UHFFFAOYSA-N
Compound name
6-methoxyisoquinolin-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.06332 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07060 133.6
[M+Na]+ 198.05254 143.5
[M-H]- 174.05604 136.1
[M+NH4]+ 193.09714 153.3
[M+K]+ 214.02648 140.6
[M+H-H2O]+ 158.06058 127.3
[M+HCOO]- 220.06152 155.4
[M+CH3COO]- 234.07717 178.1
[M+Na-2H]- 196.03799 142.8
[M]+ 175.06277 135.0
[M]- 175.06387 135.0
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

No patent data available for this compound.