CID 163033

(1-carboxyethyl) hydrogen 2-dodecenylsuccinate

Structural Information

Molecular Formula
C19H32O6
SMILES
CCCCCCCCCCC=CC(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)
InChIKey
WSIJSDWKAKNNQL-UHFFFAOYSA-N
Compound name
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 189.0
[M+Na]+ 379.20910 192.4
[M+NH4]+ 374.25370 200.3
[M+K]+ 395.18304 197.2
[M-H]- 355.21260 193.0
[M+Na-2H]- 377.19455 184.7
[M]+ 356.21933 186.8
[M]- 356.22043 186.8
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.