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]+ 270.01241 151.7
[M+Na]+ 291.99435 161.8
[M-H]- 267.99785 155.9
[M+NH4]+ 287.03895 170.9
[M+K]+ 307.96829 150.5
[M+H-H2O]+ 252.00239 151.5
[M+HCOO]- 314.00333 167.2
[M+CH3COO]- 328.01898 191.2
[M+Na-2H]- 289.97980 157.9
[M]+ 269.00458 167.9
[M]- 269.00568 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.