CID 578675

33926-46-4

Structural Information

Molecular Formula

C₂₁H₂₄O₆

SMILES

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

InChI

InChI=1S/C21H24O6/c1-3-5-6-15-25-21(23)27-19-9-7-16(8-10-19)20(22)26-18-13-11-17(12-14-18)24-4-2/h7-14H,3-6,15H2,1-2H3

InChIKey

QVUSHDHMLLZBDM-UHFFFAOYSA-N

Compound name

(4-ethoxyphenyl) 4-pentoxycarbonyloxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 372.1573 Da
Monoisotopic Mass: 5.6
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]+	373.164576	188.8
[M+Na]+	395.146518	193.6
[M-H]-	371.150024	194.7
[M+NH4]+	390.191123	200.4
[M+K]+	411.120458	191.9
[M+H-H2O]+	355.154560	179.4
[M+HCOO]-	417.155501	210.3
[M+CH3COO]-	431.171151	215.6
[M+Na-2H]-	393.131966	189.4
[M]+	372.15675142	196.7
[M]-	372.15784858	196.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe