CID 65586317

2-(3-bromopropyl)quinoline hydrobromide

Structural Information

Molecular Formula
C12H12BrN
SMILES
C1=CC=C2C(=C1)C=CC(=N2)CCCBr
InChI
InChI=1S/C12H12BrN/c13-9-3-5-11-8-7-10-4-1-2-6-12(10)14-11/h1-2,4,6-8H,3,5,9H2
InChIKey
VNQJSTRAPGJHPS-UHFFFAOYSA-N
Compound name
2-(3-bromopropyl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.0153 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.02258 147.2
[M+Na]+ 272.00452 158.7
[M-H]- 248.00802 152.8
[M+NH4]+ 267.04912 168.0
[M+K]+ 287.97846 146.9
[M+H-H2O]+ 232.01256 146.8
[M+HCOO]- 294.01350 167.1
[M+CH3COO]- 308.02915 161.8
[M+Na-2H]- 269.98997 157.2
[M]+ 249.01475 166.5
[M]- 249.01585 166.5
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.