CID 3020873

85661-32-1

Structural Information

Molecular Formula
C20H30O5
SMILES
CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCCCOC
InChI
InChI=1S/C20H30O5/c1-4-6-10-16(5-2)15-25-20(22)18-12-8-7-11-17(18)19(21)24-14-9-13-23-3/h7-8,11-12,16H,4-6,9-10,13-15H2,1-3H3
InChIKey
ISLYGGZIEGTHIQ-UHFFFAOYSA-N
Compound name
2-O-(2-ethylhexyl) 1-O-(3-methoxypropyl) benzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.20932 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.216596 188.0
[M+Na]+ 373.198538 191.2
[M-H]- 349.202044 190.0
[M+NH4]+ 368.243143 200.8
[M+K]+ 389.172478 189.7
[M+H-H2O]+ 333.206580 179.9
[M+HCOO]- 395.207521 207.3
[M+CH3COO]- 409.223171 214.9
[M+Na-2H]- 371.183986 186.0
[M]+ 350.20877142 196.0
[M]- 350.20986858 196.0
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.