CID 121217760

3-(bromomethyl)-2-methoxyquinoline

Structural Information

Molecular Formula
C11H10BrNO
SMILES
COC1=NC2=CC=CC=C2C=C1CBr
InChI
InChI=1S/C11H10BrNO/c1-14-11-9(7-12)6-8-4-2-3-5-10(8)13-11/h2-6H,7H2,1H3
InChIKey
VUXQXAVSVBZLAF-UHFFFAOYSA-N
Compound name
3-(bromomethyl)-2-methoxyquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

250.99458 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.001856 145.3
[M+Na]+ 273.983798 157.9
[M-H]- 249.987304 151.4
[M+NH4]+ 269.028403 166.3
[M+K]+ 289.957738 146.8
[M+H-H2O]+ 233.991840 145.0
[M+HCOO]- 295.992781 165.6
[M+CH3COO]- 310.008431 191.6
[M+Na-2H]- 271.969246 155.1
[M]+ 250.99403142 165.9
[M]- 250.99512858 165.9
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