CID 23091100

6-bromo-1-methyl-1,2,3,4-tetrahydroquinoline hydrochloride

Structural Information

Molecular Formula
C10H12BrN
SMILES
CN1CCCC2=C1C=CC(=C2)Br
InChI
InChI=1S/C10H12BrN/c1-12-6-2-3-8-7-9(11)4-5-10(8)12/h4-5,7H,2-3,6H2,1H3
InChIKey
NKEKGQRGDBWFBU-UHFFFAOYSA-N
Compound name
6-bromo-1-methyl-3,4-dihydro-2H-quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

225.0153 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.02258 141.6
[M+Na]+ 248.00452 152.9
[M-H]- 224.00802 147.3
[M+NH4]+ 243.04912 163.5
[M+K]+ 263.97846 141.9
[M+H-H2O]+ 208.01256 141.7
[M+HCOO]- 270.01350 159.4
[M+CH3COO]- 284.02915 156.3
[M+Na-2H]- 245.98997 150.0
[M]+ 225.01475 157.9
[M]- 225.01585 157.9
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.