CID 66545375

875664-30-5

Structural Information

Molecular Formula

C₁₁H₁₅BrO

SMILES

CC(C)(C)C1=CC(=C(C=C1)Br)CO

InChI

InChI=1S/C11H15BrO/c1-11(2,3)9-4-5-10(12)8(6-9)7-13/h4-6,13H,7H2,1-3H3

InChIKey

NYILPGNROQEGKK-UHFFFAOYSA-N

Compound name

(2-bromo-5-tert-butylphenyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 242.03062 Da
Monoisotopic Mass: 3.4
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]+	243.037896	148.2
[M+Na]+	265.019838	159.8
[M-H]-	241.023344	153.6
[M+NH4]+	260.064443	169.4
[M+K]+	280.993778	148.3
[M+H-H2O]+	225.027880	149.1
[M+HCOO]-	287.028821	166.8
[M+CH3COO]-	301.044471	188.9
[M+Na-2H]-	263.005286	154.9
[M]+	242.03007142	167.0
[M]-	242.03116858	167.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.