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]+ 278.01750 152.5
[M+Na]+ 299.99944 164.2
[M-H]- 276.00294 160.6
[M+NH4]+ 295.04404 171.2
[M+K]+ 315.97338 152.7
[M+H-H2O]+ 260.00748 151.3
[M+HCOO]- 322.00842 173.7
[M+CH3COO]- 336.02407 195.5
[M+Na-2H]- 297.98489 160.7
[M]+ 277.00967 172.6
[M]- 277.01077 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