CID 2776247

Isoquinolin-1-ylmethanol

Structural Information

Molecular Formula
C10H9NO
SMILES
C1=CC=C2C(=C1)C=CN=C2CO
InChI
InChI=1S/C10H9NO/c12-7-10-9-4-2-1-3-8(9)5-6-11-10/h1-6,12H,7H2
InChIKey
HQABEHZXAJHCLV-UHFFFAOYSA-N
Compound name
isoquinolin-1-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

182
Patents

159.06842 Da
Monoisotopic Mass

1.3
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

literature stripe

Patent stripe

patents stripe