CID 69463567

2-(benzyloxy)-3-bromo-4-methylpyridine

Structural Information

Molecular Formula
C13H12BrNO
SMILES
CC1=C(C(=NC=C1)OCC2=CC=CC=C2)Br
InChI
InChI=1S/C13H12BrNO/c1-10-7-8-15-13(12(10)14)16-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKey
SXAJTZDHMRDGSI-UHFFFAOYSA-N
Compound name
3-bromo-4-methyl-2-phenylmethoxypyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

277.01022 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.017496 152.5
[M+Na]+ 299.999438 164.2
[M-H]- 276.002944 160.6
[M+NH4]+ 295.044043 171.2
[M+K]+ 315.973378 152.7
[M+H-H2O]+ 260.007480 151.3
[M+HCOO]- 322.008421 173.7
[M+CH3COO]- 336.024071 195.5
[M+Na-2H]- 297.984886 160.7
[M]+ 277.00967142 172.6
[M]- 277.01076858 172.6
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