CID 116775

70654-69-2

Structural Information

Molecular Formula

C₁₀H₁₃BrO₂

SMILES

CC1=CC(=CC(=C1OCOC)C)Br

InChI

InChI=1S/C10H13BrO2/c1-7-4-9(11)5-8(2)10(7)13-6-12-3/h4-5H,6H2,1-3H3

InChIKey

PEVLGGLVDLXRJB-UHFFFAOYSA-N

Compound name

5-bromo-2-(methoxymethoxy)-1,3-dimethylbenzene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 9
Patents: 244.00989 Da
Monoisotopic Mass: 3.3
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]+	245.017166	143.5
[M+Na]+	266.999108	156.2
[M-H]-	243.002614	150.4
[M+NH4]+	262.043713	165.4
[M+K]+	282.973048	146.0
[M+H-H2O]+	227.007150	143.7
[M+HCOO]-	289.008091	165.5
[M+CH3COO]-	303.023741	191.8
[M+Na-2H]-	264.984556	150.1
[M]+	244.00934142	166.1
[M]-	244.01043858	166.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe