CID 3017857

68415-64-5

Structural Information

Molecular Formula

C₁₆H₃₂O₅

SMILES

CCCCCCCCCC(=O)OCCOCCOCCO

InChI

InChI=1S/C16H32O5/c1-2-3-4-5-6-7-8-9-16(18)21-15-14-20-13-12-19-11-10-17/h17H,2-15H2,1H3

InChIKey

HLLBXNKHJCWFFI-UHFFFAOYSA-N

Compound name

2-[2-(2-hydroxyethoxy)ethoxy]ethyl decanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 108
Patents: 304.22498 Da
Monoisotopic Mass: 3.2
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]+	305.232256	178.1
[M+Na]+	327.214198	180.6
[M-H]-	303.217704	175.1
[M+NH4]+	322.258803	192.4
[M+K]+	343.188138	179.3
[M+H-H2O]+	287.222240	171.2
[M+HCOO]-	349.223181	197.5
[M+CH3COO]-	363.238831	203.6
[M+Na-2H]-	325.199646	178.3
[M]+	304.22443142	187.2
[M]-	304.22552858	187.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe