CID 89992808

8-bromo-1,2,3,4-tetrahydroisoquinolin-6-ol hydrobromide

Structural Information

Molecular Formula
C9H10BrNO
SMILES
C1CNCC2=C1C=C(C=C2Br)O
InChI
InChI=1S/C9H10BrNO/c10-9-4-7(12)3-6-1-2-11-5-8(6)9/h3-4,11-12H,1-2,5H2
InChIKey
TUZCESPUENIGOB-UHFFFAOYSA-N
Compound name
8-bromo-1,2,3,4-tetrahydroisoquinolin-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

226.99458 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.00186 141.6
[M+Na]+ 249.98380 152.3
[M-H]- 225.98730 144.7
[M+NH4]+ 245.02840 161.9
[M+K]+ 265.95774 140.1
[M+H-H2O]+ 209.99184 142.0
[M+HCOO]- 271.99278 156.9
[M+CH3COO]- 286.00843 155.2
[M+Na-2H]- 247.96925 149.5
[M]+ 226.99403 155.4
[M]- 226.99513 155.4
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