CID 3020873

2-ethylhexyl 3-methoxypropyl phthalate

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]+ 351.21660 188.0
[M+Na]+ 373.19854 191.2
[M-H]- 349.20204 190.0
[M+NH4]+ 368.24314 200.8
[M+K]+ 389.17248 189.7
[M+H-H2O]+ 333.20658 179.9
[M+HCOO]- 395.20752 207.3
[M+CH3COO]- 409.22317 214.9
[M+Na-2H]- 371.18399 186.0
[M]+ 350.20877 196.0
[M]- 350.20987 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.