CID 135511237

6,7-isoquinolinediol, 1-methyl-

Structural Information

Molecular Formula
C10H9NO2
SMILES
CC1=NC=CC2=CC(=C(C=C12)O)O
InChI
InChI=1S/C10H9NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h2-5,12-13H,1H3
InChIKey
ZHJMCJIZYGTPMH-UHFFFAOYSA-N
Compound name
1-methylisoquinoline-6,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

175.06332 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07060 134.2
[M+Na]+ 198.05254 144.6
[M-H]- 174.05604 135.7
[M+NH4]+ 193.09714 153.5
[M+K]+ 214.02648 140.8
[M+H-H2O]+ 158.06058 128.4
[M+HCOO]- 220.06152 154.5
[M+CH3COO]- 234.07717 176.8
[M+Na-2H]- 196.03799 142.2
[M]+ 175.06277 134.2
[M]- 175.06387 134.2
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