CID 109143

Diethylene glycol bis(dodecenylsuccinate)

Structural Information

Molecular Formula
C36H62O9
SMILES
C=CCCCCCCCCCCC(CC(=O)OCCOCCOC(=O)CC(CCCCCCCCCCC=C)C(=O)O)C(=O)O
InChI
InChI=1S/C36H62O9/c1-3-5-7-9-11-13-15-17-19-21-23-31(35(39)40)29-33(37)44-27-25-43-26-28-45-34(38)30-32(36(41)42)24-22-20-18-16-14-12-10-8-6-4-2/h3-4,31-32H,1-2,5-30H2,(H,39,40)(H,41,42)
InChIKey
BXBUYAUHGSITOZ-UHFFFAOYSA-N
Compound name
2-[2-[2-[2-(3-carboxypentadec-14-enoyloxy)ethoxy]ethoxy]-2-oxoethyl]tetradec-13-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

638.4394 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 639.44668 256.3
[M+Na]+ 661.42862 261.3
[M-H]- 637.43212 251.5
[M+NH4]+ 656.47322 264.9
[M+K]+ 677.40256 262.7
[M+H-H2O]+ 621.43666 257.7
[M+HCOO]- 683.43760 252.1
[M+CH3COO]- 697.45325 265.4
[M+Na-2H]- 659.41407 241.4
[M]+ 638.43885 255.9
[M]- 638.43995 255.9
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.