CID 57842702

943741-22-8

Structural Information

Molecular Formula

C₁₀H₁₃BrO

SMILES

CC1=CC(=CC(=C1CCO)C)Br

InChI

InChI=1S/C10H13BrO/c1-7-5-9(11)6-8(2)10(7)3-4-12/h5-6,12H,3-4H2,1-2H3

InChIKey

VGUKMBPUMPQWAR-UHFFFAOYSA-N

Compound name

2-(4-bromo-2,6-dimethylphenyl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 228.01498 Da
Monoisotopic Mass: 2.9
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]+	229.022256	141.8
[M+Na]+	251.004198	154.1
[M-H]-	227.007704	147.3
[M+NH4]+	246.048803	163.6
[M+K]+	266.978138	142.6
[M+H-H2O]+	211.012240	142.4
[M+HCOO]-	273.013181	162.2
[M+CH3COO]-	287.028831	187.4
[M+Na-2H]-	248.989646	147.9
[M]+	228.01443142	161.2
[M]-	228.01552858	161.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe