CID 21547809

1-(2-bromoethyl)-1,2,3,4-tetrahydroquinoline hydrobromide

Structural Information

Molecular Formula
C11H14BrN
SMILES
C1CC2=CC=CC=C2N(C1)CCBr
InChI
InChI=1S/C11H14BrN/c12-7-9-13-8-3-5-10-4-1-2-6-11(10)13/h1-2,4,6H,3,5,7-9H2
InChIKey
QRFNPYDGSZOAJR-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-3,4-dihydro-2H-quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

239.03096 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.038236 146.5
[M+Na]+ 262.020178 156.5
[M-H]- 238.023684 151.6
[M+NH4]+ 257.064783 167.6
[M+K]+ 277.994118 145.2
[M+H-H2O]+ 222.028220 146.2
[M+HCOO]- 284.029161 163.9
[M+CH3COO]- 298.044811 160.4
[M+Na-2H]- 260.005626 154.9
[M]+ 239.03041142 162.7
[M]- 239.03150858 162.7
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

patents stripe