CID 129961557

8-(bromomethyl)-6-methylquinoline

Structural Information

Molecular Formula
C11H10BrN
SMILES
CC1=CC2=C(C(=C1)CBr)N=CC=C2
InChI
InChI=1S/C11H10BrN/c1-8-5-9-3-2-4-13-11(9)10(6-8)7-12/h2-6H,7H2,1H3
InChIKey
MAUYKWXQNJUVFO-UHFFFAOYSA-N
Compound name
8-(bromomethyl)-6-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.99966 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.006936 142.3
[M+Na]+ 257.988878 155.1
[M-H]- 233.992384 148.5
[M+NH4]+ 253.033483 164.0
[M+K]+ 273.962818 143.5
[M+H-H2O]+ 217.996920 142.2
[M+HCOO]- 279.997861 162.4
[M+CH3COO]- 294.013511 157.7
[M+Na-2H]- 255.974326 152.1
[M]+ 234.99911142 161.6
[M]- 235.00020858 161.6
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.