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]+ 176.070596 133.6
[M+Na]+ 198.052538 143.5
[M-H]- 174.056044 136.1
[M+NH4]+ 193.097143 153.3
[M+K]+ 214.026478 140.6
[M+H-H2O]+ 158.060580 127.3
[M+HCOO]- 220.061521 155.4
[M+CH3COO]- 234.077171 178.1
[M+Na-2H]- 196.037986 142.8
[M]+ 175.06277142 135.0
[M]- 175.06386858 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.