CID 23080861

(isoquinolin-8-yl)methanol

Structural Information

Molecular Formula
C10H9NO
SMILES
C1=CC2=C(C=NC=C2)C(=C1)CO
InChI
InChI=1S/C10H9NO/c12-7-9-3-1-2-8-4-5-11-6-10(8)9/h1-6,12H,7H2
InChIKey
UDNDYRZGZAWJHB-UHFFFAOYSA-N
Compound name
isoquinolin-8-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

159.06842 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.07570 131.0
[M+Na]+ 182.05764 146.1
[M+NH4]+ 177.10224 140.8
[M+K]+ 198.03158 138.4
[M-H]- 158.06114 133.9
[M+Na-2H]- 180.04309 139.5
[M]+ 159.06787 134.1
[M]- 159.06897 134.1
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