CID 135563283

3-methylisoquinolin-8-ol

Structural Information

Molecular Formula
C10H9NO
SMILES
CC1=CC2=C(C=N1)C(=CC=C2)O
InChI
InChI=1S/C10H9NO/c1-7-5-8-3-2-4-10(12)9(8)6-11-7/h2-6,12H,1H3
InChIKey
VFQFUVDXDKKNEP-UHFFFAOYSA-N
Compound name
3-methylisoquinolin-8-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

159.06842 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.075696 130.3
[M+Na]+ 182.057638 140.3
[M-H]- 158.061144 132.9
[M+NH4]+ 177.102243 150.8
[M+K]+ 198.031578 136.9
[M+H-H2O]+ 142.065680 124.3
[M+HCOO]- 204.066621 152.0
[M+CH3COO]- 218.082271 144.3
[M+Na-2H]- 180.043086 139.6
[M]+ 159.06787142 130.3
[M]- 159.06896858 130.3
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

patents stripe