CID 85771059

Phenoxy resin

Structural Information

Molecular Formula

C₁₈H₂₂O₃

SMILES

CC(=C1C=CC=CC1C2=CC=C(C=C2)OCC(CO)O)C

InChI

InChI=1S/C18H22O3/c1-13(2)17-5-3-4-6-18(17)14-7-9-16(10-8-14)21-12-15(20)11-19/h3-10,15,18-20H,11-12H2,1-2H3

InChIKey

LPXOYRYOYTYPRA-UHFFFAOYSA-N

Compound name

3-[4-(6-propan-2-ylidenecyclohexa-2,4-dien-1-yl)phenoxy]propane-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 286.1569 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]+	287.164176	168.9
[M+Na]+	309.146118	173.3
[M-H]-	285.149624	172.3
[M+NH4]+	304.190723	183.0
[M+K]+	325.120058	169.2
[M+H-H2O]+	269.154160	161.6
[M+HCOO]-	331.155101	186.3
[M+CH3COO]-	345.170751	198.0
[M+Na-2H]-	307.131566	169.0
[M]+	286.15635142	167.3
[M]-	286.15744858	167.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe