CID 85456

16494-24-9

Structural Information

Molecular Formula

C₂₀H₂₂O₆

SMILES

CCCCOC(=O)OC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)OCC

InChI

InChI=1S/C20H22O6/c1-3-5-14-24-20(22)26-18-8-6-15(7-9-18)19(21)25-17-12-10-16(11-13-17)23-4-2/h6-13H,3-5,14H2,1-2H3

InChIKey

GIJIKFKGLZGENN-UHFFFAOYSA-N

Compound name

(4-ethoxyphenyl) 4-butoxycarbonyloxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 207
Patents: 358.14163 Da
Monoisotopic Mass: 5.1
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]+	359.14891	183.9
[M+Na]+	381.13085	195.9
[M+NH4]+	376.17545	189.3
[M+K]+	397.10479	189.8
[M-H]-	357.13435	186.0
[M+Na-2H]-	379.11630	190.0
[M]+	358.14108	186.0
[M]-	358.14218	186.0

Literature stripe

literature stripe

Patent stripe

patents stripe