CID 3505337

4-(hexyloxy)phenyl 4-(allyloxy)benzoate

Structural Information

Molecular Formula

C₂₂H₂₆O₄

SMILES

CCCCCCOC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)OCC=C

InChI

InChI=1S/C22H26O4/c1-3-5-6-7-17-25-20-12-14-21(15-13-20)26-22(23)18-8-10-19(11-9-18)24-16-4-2/h4,8-15H,2-3,5-7,16-17H2,1H3

InChIKey

CQAGCDLZFGJYEI-UHFFFAOYSA-N

Compound name

(4-hexoxyphenyl) 4-prop-2-enoxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 354.1831 Da
Monoisotopic Mass: 6.3
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]+	355.190376	187.3
[M+Na]+	377.172318	192.2
[M-H]-	353.175824	193.0
[M+NH4]+	372.216923	199.9
[M+K]+	393.146258	188.2
[M+H-H2O]+	337.180360	178.1
[M+HCOO]-	399.181301	209.1
[M+CH3COO]-	413.196951	214.8
[M+Na-2H]-	375.157766	188.4
[M]+	354.18255142	193.5
[M]-	354.18364858	193.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe