CID 59534982

8-bromo-6-methylisoquinoline

Structural Information

Molecular Formula
C10H8BrN
SMILES
CC1=CC2=C(C=NC=C2)C(=C1)Br
InChI
InChI=1S/C10H8BrN/c1-7-4-8-2-3-12-6-9(8)10(11)5-7/h2-6H,1H3
InChIKey
YUYSEYFFNVZQMV-UHFFFAOYSA-N
Compound name
8-bromo-6-methylisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

220.98401 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.99129 136.5
[M+Na]+ 243.97323 142.8
[M+NH4]+ 239.01783 143.1
[M+K]+ 259.94717 141.0
[M-H]- 219.97673 138.6
[M+Na-2H]- 241.95868 142.2
[M]+ 220.98346 137.0
[M]- 220.98456 137.0
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

patents stripe