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]+ 236.00694 142.3
[M+Na]+ 257.98888 155.1
[M-H]- 233.99238 148.5
[M+NH4]+ 253.03348 164.0
[M+K]+ 273.96282 143.5
[M+H-H2O]+ 217.99692 142.2
[M+HCOO]- 279.99786 162.4
[M+CH3COO]- 294.01351 157.7
[M+Na-2H]- 255.97433 152.1
[M]+ 234.99911 161.6
[M]- 235.00021 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.