CID 109568

9-octadecenoic acid (9z)-, 2-ethoxyethyl ester

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.32068 196.2
[M+Na]+ 377.30262 202.8
[M+NH4]+ 372.34722 200.5
[M+K]+ 393.27656 194.3
[M-H]- 353.30612 193.9
[M+Na-2H]- 375.28807 195.2
[M]+ 354.31285 196.1
[M]- 354.31395 196.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe