CID 4054109

1,4-dibenzyloxy-2-butene

Structural Information

Molecular Formula

C₁₈H₂₀O₂

SMILES

C1=CC=C(C=C1)COCC=CCOCC2=CC=CC=C2

InChI

InChI=1S/C18H20O2/c1-3-9-17(10-4-1)15-19-13-7-8-14-20-16-18-11-5-2-6-12-18/h1-12H,13-16H2

InChIKey

SHOJWWNYFPQUHH-UHFFFAOYSA-N

Compound name

4-phenylmethoxybut-2-enoxymethylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 91
Patents: 268.14633 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]+	269.15361	165.3
[M+Na]+	291.13555	179.7
[M+NH4]+	286.18015	174.0
[M+K]+	307.10949	169.8
[M-H]-	267.13905	170.1
[M+Na-2H]-	289.12100	175.0
[M]+	268.14578	168.9
[M]-	268.14688	168.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe