CID 23149492

865156-71-4

Structural Information

Molecular Formula

C₁₀H₁₄BrNO₃

SMILES

COCCCOC1=C(N=CC(=C1)Br)OC

InChI

InChI=1S/C10H14BrNO3/c1-13-4-3-5-15-9-6-8(11)7-12-10(9)14-2/h6-7H,3-5H2,1-2H3

InChIKey

LEDCNNBKVQRVBL-UHFFFAOYSA-N

Compound name

5-bromo-2-methoxy-3-(3-methoxypropoxy)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 73
Patents: 275.01572 Da
Monoisotopic Mass: 2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	276.02300	149.8
[M+Na]+	298.00494	161.4
[M-H]-	274.00844	154.8
[M+NH4]+	293.04954	168.8
[M+K]+	313.97888	151.6
[M+H-H2O]+	258.01298	148.7
[M+HCOO]-	320.01392	170.8
[M+CH3COO]-	334.02957	195.0
[M+Na-2H]-	295.99039	157.2
[M]+	275.01517	173.9
[M]-	275.01627	173.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe