CID 3084945

50802-52-3

Structural Information

Molecular Formula

C₂₄H₃₂O₃

SMILES

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

InChI

InChI=1S/C24H32O3/c1-3-5-7-9-19-26-22-15-17-23(18-16-22)27-24(25)21-13-11-20(12-14-21)10-8-6-4-2/h11-18H,3-10,19H2,1-2H3

InChIKey

QOSDDNTYRMLJLY-UHFFFAOYSA-N

Compound name

(4-hexoxyphenyl) 4-pentylbenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 368.23514 Da
Monoisotopic Mass: 8.1
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]+	369.24242	194.5
[M+Na]+	391.22436	207.4
[M+NH4]+	386.26896	201.3
[M+K]+	407.19830	197.9
[M-H]-	367.22786	198.4
[M+Na-2H]-	389.20981	201.3
[M]+	368.23459	197.5
[M]-	368.23569	197.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe