CID 118885597

(4-(2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl)phenyl) 2-methylprop-2-enoate

Structural Information

Molecular Formula

C₂₁H₂₀O₅

SMILES

CC(=C)C(=O)OC1=CC=C(C=C1)C2=C(C=C(C=C2)OC(=O)C(=C)C)OC

InChI

InChI=1S/C21H20O5/c1-13(2)20(22)25-16-8-6-15(7-9-16)18-11-10-17(12-19(18)24-5)26-21(23)14(3)4/h6-12H,1,3H2,2,4-5H3

InChIKey

UNKIKEVVHIQDQU-UHFFFAOYSA-N

Compound name

[4-[2-methoxy-4-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 217
Patents: 352.13107 Da
Monoisotopic Mass: 5.0
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]+	353.138346	180.6
[M+Na]+	375.120288	186.6
[M-H]-	351.123794	187.3
[M+NH4]+	370.164893	193.2
[M+K]+	391.094228	184.2
[M+H-H2O]+	335.128330	172.5
[M+HCOO]-	397.129271	200.5
[M+CH3COO]-	411.144921	215.8
[M+Na-2H]-	373.105736	178.5
[M]+	352.13052142	185.2
[M]-	352.13161858	185.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe