CID 57818

100347-77-1

Structural Information

Molecular Formula

C₁₈H₂₆O₄

SMILES

CCCC1=CC(=CC(=C1OCC=C)CCC)C(=O)OCCO

InChI

InChI=1S/C18H26O4/c1-4-7-14-12-16(18(20)22-11-9-19)13-15(8-5-2)17(14)21-10-6-3/h6,12-13,19H,3-5,7-11H2,1-2H3

InChIKey

ONSRRKMXWGNSJK-UHFFFAOYSA-N

Compound name

2-hydroxyethyl 4-prop-2-enoxy-3,5-dipropylbenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 306.1831 Da
Monoisotopic Mass: 4.4
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]+	307.190376	174.2
[M+Na]+	329.172318	180.3
[M-H]-	305.175824	175.9
[M+NH4]+	324.216923	189.0
[M+K]+	345.146258	176.9
[M+H-H2O]+	289.180360	167.4
[M+HCOO]-	351.181301	194.5
[M+CH3COO]-	365.196951	205.9
[M+Na-2H]-	327.157766	174.0
[M]+	306.18255142	180.4
[M]-	306.18364858	180.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe