CID 103694550

1-iodo-5-methoxyisoquinoline

Structural Information

Molecular Formula
C10H8INO
SMILES
COC1=CC=CC2=C1C=CN=C2I
InChI
InChI=1S/C10H8INO/c1-13-9-4-2-3-8-7(9)5-6-12-10(8)11/h2-6H,1H3
InChIKey
QQSHSCOWRYWQRY-UHFFFAOYSA-N
Compound name
1-iodo-5-methoxyisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.96506 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.97234 139.0
[M+Na]+ 307.95428 141.8
[M-H]- 283.95778 135.4
[M+NH4]+ 302.99888 154.2
[M+K]+ 323.92822 144.9
[M+H-H2O]+ 267.96232 128.8
[M+HCOO]- 329.96326 156.8
[M+CH3COO]- 343.97891 190.0
[M+Na-2H]- 305.93973 136.4
[M]+ 284.96451 138.1
[M]- 284.96561 138.1
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

No patent data available for this compound.