CID 575914

Ethyl 3-hydroxytridecanoate

Structural Information

Molecular Formula

C₁₅H₃₀O₃

SMILES

CCCCCCCCCCC(CC(=O)OCC)O

InChI

InChI=1S/C15H30O3/c1-3-5-6-7-8-9-10-11-12-14(16)13-15(17)18-4-2/h14,16H,3-13H2,1-2H3

InChIKey

LOFDGMSAUOHYLH-UHFFFAOYSA-N

Compound name

ethyl 3-hydroxytridecanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 258.21948 Da
Monoisotopic Mass: 4.8
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]+	259.22676	167.1
[M+Na]+	281.20870	174.2
[M+NH4]+	276.25330	172.3
[M+K]+	297.18264	168.5
[M-H]-	257.21220	164.5
[M+Na-2H]-	279.19415	167.0
[M]+	258.21893	166.9
[M]-	258.22003	166.9

Literature stripe

literature stripe

Patent stripe

patents stripe