CID 71468629

Ethyl 5-formyloxydecanoate

Structural Information

Molecular Formula

C₁₃H₂₄O₄

SMILES

CCCCCC(CCCC(=O)OCC)OC=O

InChI

InChI=1S/C13H24O4/c1-3-5-6-8-12(17-11-14)9-7-10-13(15)16-4-2/h11-12H,3-10H2,1-2H3

InChIKey

QFNRRKOXUZESMQ-UHFFFAOYSA-N

Compound name

ethyl 5-formyloxydecanoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 51
Patents: 244.16747 Da
Monoisotopic Mass: 3.4
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]+	245.17475	159.7
[M+Na]+	267.15669	167.4
[M+NH4]+	262.20129	164.8
[M+K]+	283.13063	162.3
[M-H]-	243.16019	157.0
[M+Na-2H]-	265.14214	160.2
[M]+	244.16692	159.5
[M]-	244.16802	159.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe