CID 109568

Cellosolve oleate

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

2
Annotation Hits: 0
References: 20
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]+	355.320676	198.4
[M+Na]+	377.302618	199.4
[M-H]-	353.306124	195.7
[M+NH4]+	372.347223	211.5
[M+K]+	393.276558	195.7
[M+H-H2O]+	337.310660	190.7
[M+HCOO]-	399.311601	217.0
[M+CH3COO]-	413.327251	218.7
[M+Na-2H]-	375.288066	195.7
[M]+	354.31285142	207.9
[M]-	354.31394858	207.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe