CID 3014064

4-hydroxy propofol

Structural Information

Molecular Formula

C₁₂H₁₈O₂

SMILES

CC(C)C1=CC(=CC(=C1O)C(C)C)O

InChI

InChI=1S/C12H18O2/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8,13-14H,1-4H3

InChIKey

UFWIJKBKROBWTG-UHFFFAOYSA-N

Compound name

2,6-di(propan-2-yl)benzene-1,4-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 102
Patents: 194.13068 Da
Monoisotopic Mass: 3.5
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]+	195.137956	143.6
[M+Na]+	217.119898	151.2
[M-H]-	193.123404	145.2
[M+NH4]+	212.164503	162.5
[M+K]+	233.093838	148.9
[M+H-H2O]+	177.127940	138.8
[M+HCOO]-	239.128881	162.7
[M+CH3COO]-	253.144531	184.5
[M+Na-2H]-	215.105346	144.7
[M]+	194.13013142	143.7
[M]-	194.13122858	143.7

Literature stripe

literature stripe

Patent stripe

patents stripe