CID 820612

8-iodo-7-methoxyisoquinoline

Structural Information

Molecular Formula
C10H8INO
SMILES
COC1=C(C2=C(C=C1)C=CN=C2)I
InChI
InChI=1S/C10H8INO/c1-13-9-3-2-7-4-5-12-6-8(7)10(9)11/h2-6H,1H3
InChIKey
URYNIQMBIJSDMF-UHFFFAOYSA-N
Compound name
8-iodo-7-methoxyisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.96506 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.97234 142.7
[M+Na]+ 307.95428 150.3
[M+NH4]+ 302.99888 148.0
[M+K]+ 323.92822 146.0
[M-H]- 283.95778 139.6
[M+Na-2H]- 305.93973 138.4
[M]+ 284.96451 142.0
[M]- 284.96561 142.0
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.