CID 12630420

8-bromo-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula
C9H10BrN
SMILES
C1CNCC2=C1C=CC=C2Br
InChI
InChI=1S/C9H10BrN/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-3,11H,4-6H2
InChIKey
KHWGHUZYXQPIKA-UHFFFAOYSA-N
Compound name
8-bromo-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

210.99966 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.00694 137.0
[M+Na]+ 233.98888 141.0
[M+NH4]+ 229.03348 143.2
[M+K]+ 249.96282 139.8
[M-H]- 209.99238 138.2
[M+Na-2H]- 231.97433 140.8
[M]+ 210.99911 136.8
[M]- 211.00021 136.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe