CID 92070

Bis(2-ethylhexyl) malate

Structural Information

Molecular Formula
C20H38O5
SMILES
CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)O
InChI
InChI=1S/C20H38O5/c1-5-9-11-16(7-3)14-24-19(22)13-18(21)20(23)25-15-17(8-4)12-10-6-2/h16-18,21H,5-15H2,1-4H3
InChIKey
ZDVFAKWEMOAQQR-UHFFFAOYSA-N
Compound name
bis(2-ethylhexyl) 2-hydroxybutanedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

170
Patents

358.2719 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.27918 192.3
[M+Na]+ 381.26112 196.5
[M+NH4]+ 376.30572 207.8
[M+K]+ 397.23506 193.2
[M-H]- 357.26462 187.5
[M+Na-2H]- 379.24657 189.0
[M]+ 358.27135 190.9
[M]- 358.27245 190.9
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

patents stripe