CID 84691697

7-bromo-1,2,3,4-tetrahydroisoquinolin-6-ol hydrochloride

Structural Information

Molecular Formula
C9H10BrNO
SMILES
C1CNCC2=CC(=C(C=C21)O)Br
InChI
InChI=1S/C9H10BrNO/c10-8-3-7-5-11-2-1-6(7)4-9(8)12/h3-4,11-12H,1-2,5H2
InChIKey
DNCKEFYMFSRBHE-UHFFFAOYSA-N
Compound name
7-bromo-1,2,3,4-tetrahydroisoquinolin-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.99458 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.001856 141.6
[M+Na]+ 249.983798 152.3
[M-H]- 225.987304 144.7
[M+NH4]+ 245.028403 161.9
[M+K]+ 265.957738 140.1
[M+H-H2O]+ 209.991840 142.0
[M+HCOO]- 271.992781 156.9
[M+CH3COO]- 286.008431 155.2
[M+Na-2H]- 247.969246 149.5
[M]+ 226.99403142 155.4
[M]- 226.99512858 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

No patent data available for this compound.