CID 2795480

6-(bromomethyl)-2-methylquinoline

Structural Information

Molecular Formula
C11H10BrN
SMILES
CC1=NC2=C(C=C1)C=C(C=C2)CBr
InChI
InChI=1S/C11H10BrN/c1-8-2-4-10-6-9(7-12)3-5-11(10)13-8/h2-6H,7H2,1H3
InChIKey
OTZHQYZZYJSBOK-UHFFFAOYSA-N
Compound name
6-(bromomethyl)-2-methylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
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 141.1
[M+Na]+ 257.98888 147.2
[M+NH4]+ 253.03348 147.5
[M+K]+ 273.96282 145.2
[M-H]- 233.99238 143.1
[M+Na-2H]- 255.97433 146.5
[M]+ 234.99911 141.6
[M]- 235.00021 141.6
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

patents stripe