CID 3024536

Ns00066221

Structural Information

Molecular Formula
C20H36O6
SMILES
CCCCCCCCCC=CCC(CC(=O)OCCOCCO)C(=O)O
InChI
InChI=1S/C20H36O6/c1-2-3-4-5-6-7-8-9-10-11-12-18(20(23)24)17-19(22)26-16-15-25-14-13-21/h10-11,18,21H,2-9,12-17H2,1H3,(H,23,24)
InChIKey
KZCIULHHQQOKNZ-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-hydroxyethoxy)ethoxy]-2-oxoethyl]tetradec-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.2512 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.258476 196.7
[M+Na]+ 395.240418 197.2
[M-H]- 371.243924 191.6
[M+NH4]+ 390.285023 199.6
[M+K]+ 411.214358 194.4
[M+H-H2O]+ 355.248460 189.5
[M+HCOO]- 417.249401 205.6
[M+CH3COO]- 431.265051 214.3
[M+Na-2H]- 393.225866 192.0
[M]+ 372.25065142 203.9
[M]- 372.25174858 203.9
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

No patent data available for this compound.