CID 22126247

188861-59-8

Structural Information

Molecular Formula
C10H9NO
SMILES
C1=CC2=C(C=CN=C2)C=C1CO
InChI
InChI=1S/C10H9NO/c12-7-8-1-2-10-6-11-4-3-9(10)5-8/h1-6,12H,7H2
InChIKey
XIRLIZNMBKEUDD-UHFFFAOYSA-N
Compound name
isoquinolin-6-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

159.06842 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.075696 130.4
[M+Na]+ 182.057638 139.4
[M-H]- 158.061144 132.5
[M+NH4]+ 177.102243 150.5
[M+K]+ 198.031578 135.9
[M+H-H2O]+ 142.065680 124.1
[M+HCOO]- 204.066621 152.0
[M+CH3COO]- 218.082271 144.0
[M+Na-2H]- 180.043086 140.4
[M]+ 159.06787142 129.9
[M]- 159.06896858 129.9
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