CID 62095505

6-(bromomethyl)-1-methyl-1,2,3,4-tetrahydroquinoline hydrobromide

Structural Information

Molecular Formula
C11H14BrN
SMILES
CN1CCCC2=C1C=CC(=C2)CBr
InChI
InChI=1S/C11H14BrN/c1-13-6-2-3-10-7-9(8-12)4-5-11(10)13/h4-5,7H,2-3,6,8H2,1H3
InChIKey
KYJSZJXLQGCVSM-UHFFFAOYSA-N
Compound name
6-(bromomethyl)-1-methyl-3,4-dihydro-2H-quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

239.03096 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.03824 146.3
[M+Na]+ 262.02018 157.2
[M-H]- 238.02368 151.8
[M+NH4]+ 257.06478 167.7
[M+K]+ 277.99412 145.9
[M+H-H2O]+ 222.02822 146.2
[M+HCOO]- 284.02916 163.7
[M+CH3COO]- 298.04481 190.4
[M+Na-2H]- 260.00563 154.1
[M]+ 239.03041 162.9
[M]- 239.03151 162.9
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.