CID 6441099

Dodecenylsuccinic lactate

Structural Information

Molecular Formula
C19H32O6
SMILES
CCCCCCCCCC/C=C/C(CC(=O)O)C(=O)OC(C)C(=O)O
InChI
InChI=1S/C19H32O6/c1-3-4-5-6-7-8-9-10-11-12-13-16(14-17(20)21)19(24)25-15(2)18(22)23/h12-13,15-16H,3-11,14H2,1-2H3,(H,20,21)(H,22,23)/b13-12+
InChIKey
WSIJSDWKAKNNQL-OUKQBFOZSA-N
Compound name
(E)-3-(1-carboxyethoxycarbonyl)pentadec-4-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

356.21988 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.22716 190.9
[M+Na]+ 379.20910 191.8
[M-H]- 355.21260 186.3
[M+NH4]+ 374.25370 195.9
[M+K]+ 395.18304 189.7
[M+H-H2O]+ 339.21714 184.3
[M+HCOO]- 401.21808 194.9
[M+CH3COO]- 415.23373 212.4
[M+Na-2H]- 377.19455 184.3
[M]+ 356.21933 195.8
[M]- 356.22043 195.8
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.