CID 3063446

100907-11-7

Structural Information

Molecular Formula
C15H12N2O
SMILES
C1=CC=C2C(=C1)C=CN=C2C(C3=CN=CC=C3)O
InChI
InChI=1S/C15H12N2O/c18-15(12-5-3-8-16-10-12)14-13-6-2-1-4-11(13)7-9-17-14/h1-10,15,18H
InChIKey
KAVAPGHCSHNYMB-UHFFFAOYSA-N
Compound name
isoquinolin-1-yl(pyridin-3-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.09496 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.102236 152.2
[M+Na]+ 259.084178 160.0
[M-H]- 235.087684 155.6
[M+NH4]+ 254.128783 167.0
[M+K]+ 275.058118 154.7
[M+H-H2O]+ 219.092220 143.1
[M+HCOO]- 281.093161 171.0
[M+CH3COO]- 295.108811 163.6
[M+Na-2H]- 257.069626 160.8
[M]+ 236.09441142 150.6
[M]- 236.09550858 150.6
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

No patent data available for this compound.