CID 84475

Dioctyl succinate

Structural Information

Molecular Formula
C20H38O4
SMILES
CCCCCCCCOC(=O)CCC(=O)OCCCCCCCC
InChI
InChI=1S/C20H38O4/c1-3-5-7-9-11-13-17-23-19(21)15-16-20(22)24-18-14-12-10-8-6-4-2/h3-18H2,1-2H3
InChIKey
KWABLUYIOFEZOY-UHFFFAOYSA-N
Compound name
dioctyl butanedioate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

13518
Patents

342.277 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.28428 192.8
[M+Na]+ 365.26622 194.4
[M-H]- 341.26972 190.7
[M+NH4]+ 360.31082 206.3
[M+K]+ 381.24016 192.2
[M+H-H2O]+ 325.27426 185.5
[M+HCOO]- 387.27520 211.4
[M+CH3COO]- 401.29085 215.4
[M+Na-2H]- 363.25167 190.1
[M]+ 342.27645 202.4
[M]- 342.27755 202.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe