CID 82279765

7-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinoline

Structural Information

Molecular Formula
C10H12BrNO
SMILES
COC1=C(C=C2CNCCC2=C1)Br
InChI
InChI=1S/C10H12BrNO/c1-13-10-5-7-2-3-12-6-8(7)4-9(10)11/h4-5,12H,2-3,6H2,1H3
InChIKey
WHHDAOAVGDCKCV-UHFFFAOYSA-N
Compound name
7-bromo-6-methoxy-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.01022 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.01750 145.4
[M+Na]+ 263.99944 156.0
[M-H]- 240.00294 149.6
[M+NH4]+ 259.04404 165.9
[M+K]+ 279.97338 144.6
[M+H-H2O]+ 224.00748 145.4
[M+HCOO]- 286.00842 161.8
[M+CH3COO]- 300.02407 187.0
[M+Na-2H]- 261.98489 153.2
[M]+ 241.00967 161.2
[M]- 241.01077 161.2
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.