CID 72183345

Methyl 6-bromo-1,2,3,4-tetrahydroquinoline-8-carboxylate hydrochloride

Structural Information

Molecular Formula
C11H12BrNO2
SMILES
COC(=O)C1=CC(=CC2=C1NCCC2)Br
InChI
InChI=1S/C11H12BrNO2/c1-15-11(14)9-6-8(12)5-7-3-2-4-13-10(7)9/h5-6,13H,2-4H2,1H3
InChIKey
HMXKFAVKUYPBMC-UHFFFAOYSA-N
Compound name
methyl 6-bromo-1,2,3,4-tetrahydroquinoline-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.00513 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.012406 151.7
[M+Na]+ 291.994348 161.8
[M-H]- 267.997854 155.9
[M+NH4]+ 287.038953 170.9
[M+K]+ 307.968288 150.5
[M+H-H2O]+ 252.002390 151.5
[M+HCOO]- 314.003331 167.2
[M+CH3COO]- 328.018981 191.2
[M+Na-2H]- 289.979796 157.9
[M]+ 269.00458142 167.9
[M]- 269.00567858 167.9
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.