CID 153683035

Dtxsid201036159

Structural Information

Molecular Formula

C₂₁H₂₂O₅

SMILES

CC(=C)C(=O)OCCOCCOC1=CC=C(C=C1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H22O5/c1-16(2)21(23)26-15-13-24-12-14-25-19-10-8-18(9-11-19)20(22)17-6-4-3-5-7-17/h3-11H,1,12-15H2,2H3

InChIKey

FNAMGIUYFNNCNP-UHFFFAOYSA-N

Compound name

2-[2-(4-benzoylphenoxy)ethoxy]ethyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 354.14673 Da
Monoisotopic Mass: 3.9
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]+	355.154006	184.7
[M+Na]+	377.135948	188.7
[M-H]-	353.139454	190.3
[M+NH4]+	372.180553	196.6
[M+K]+	393.109888	186.0
[M+H-H2O]+	337.143990	175.6
[M+HCOO]-	399.144931	205.3
[M+CH3COO]-	413.160581	213.7
[M+Na-2H]-	375.121396	184.8
[M]+	354.14618142	189.6
[M]-	354.14727858	189.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe