CID 3023808

Borbmwsingmseq-uhfffaoysa-n

Structural Information

Molecular Formula
C14H24O5
SMILES
CCCCC(CC)COC(=O)C=CC(=O)OCCO
InChI
InChI=1S/C14H24O5/c1-3-5-6-12(4-2)11-19-14(17)8-7-13(16)18-10-9-15/h7-8,12,15H,3-6,9-11H2,1-2H3
InChIKey
BORBMWSINGMSEQ-UHFFFAOYSA-N
Compound name
4-O-(2-ethylhexyl) 1-O-(2-hydroxyethyl) but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.16238 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.169656 167.3
[M+Na]+ 295.151598 171.0
[M-H]- 271.155104 165.0
[M+NH4]+ 290.196203 182.8
[M+K]+ 311.125538 169.9
[M+H-H2O]+ 255.159640 161.3
[M+HCOO]- 317.160581 185.8
[M+CH3COO]- 331.176231 196.4
[M+Na-2H]- 293.137046 166.1
[M]+ 272.16183142 172.7
[M]- 272.16292858 172.7
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.