CID 106198

2-butenedioic acid (2z)-, bis(2-ethylbutyl) ester

Structural Information

Molecular Formula
C16H28O4
SMILES
CCC(CC)COC(=O)C=CC(=O)OCC(CC)CC
InChI
InChI=1S/C16H28O4/c1-5-13(6-2)11-19-15(17)9-10-16(18)20-12-14(7-3)8-4/h9-10,13-14H,5-8,11-12H2,1-4H3
InChIKey
JXHKBPVSQSRMKJ-UHFFFAOYSA-N
Compound name
bis(2-ethylbutyl) but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

284.19876 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.20604 171.8
[M+Na]+ 307.18798 178.3
[M+NH4]+ 302.23258 175.9
[M+K]+ 323.16192 174.1
[M-H]- 283.19148 168.3
[M+Na-2H]- 305.17343 170.7
[M]+ 284.19821 171.2
[M]- 284.19931 171.2
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