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]+ 250.022576 147.2
[M+Na]+ 272.004518 158.7
[M-H]- 248.008024 152.8
[M+NH4]+ 267.049123 168.0
[M+K]+ 287.978458 146.9
[M+H-H2O]+ 232.012560 146.8
[M+HCOO]- 294.013501 167.1
[M+CH3COO]- 308.029151 161.8
[M+Na-2H]- 269.989966 157.2
[M]+ 249.01475142 166.5
[M]- 249.01584858 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.