CID 109568

68134-05-4

Structural Information

Molecular Formula

C₂₂H₄₂O₃

SMILES

CCCCCCCCC=CCCCCCCCC(=O)OCCOCC

InChI

InChI=1S/C22H42O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(23)25-21-20-24-4-2/h11-12H,3-10,13-21H2,1-2H3

InChIKey

VUPZFTKJJOGXIU-UHFFFAOYSA-N

Compound name

2-ethoxyethyl octadec-9-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 354.3134 Da
Monoisotopic Mass: 7.8
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]+	355.32068	198.4
[M+Na]+	377.30262	199.4
[M-H]-	353.30612	195.7
[M+NH4]+	372.34722	211.5
[M+K]+	393.27656	195.7
[M+H-H2O]+	337.31066	190.7
[M+HCOO]-	399.31160	217.0
[M+CH3COO]-	413.32725	218.7
[M+Na-2H]-	375.28807	195.7
[M]+	354.31285	207.9
[M]-	354.31395	207.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe