CID 58092787

1260504-75-3

Structural Information

Molecular Formula

C₈H₁₀BrNO₂

SMILES

CC1=CC(=C(C=N1)OCOC)Br

InChI

InChI=1S/C8H10BrNO2/c1-6-3-7(9)8(4-10-6)12-5-11-2/h3-4H,5H2,1-2H3

InChIKey

YXXNGMMCDPRBML-UHFFFAOYSA-N

Compound name

4-bromo-5-(methoxymethoxy)-2-methylpyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 230.98949 Da
Monoisotopic Mass: 1.9
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]+	231.996766	138.0
[M+Na]+	253.978708	150.6
[M-H]-	229.982214	143.5
[M+NH4]+	249.023313	158.9
[M+K]+	269.952648	140.8
[M+H-H2O]+	213.986750	137.7
[M+HCOO]-	275.987691	159.6
[M+CH3COO]-	290.003341	187.5
[M+Na-2H]-	251.964156	146.5
[M]+	230.98894142	160.1
[M]-	230.99003858	160.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe