CID 3017423

2-ethylhexyl methyl terephthalate

Structural Information

Molecular Formula
C17H24O4
SMILES
CCCCC(CC)COC(=O)C1=CC=C(C=C1)C(=O)OC
InChI
InChI=1S/C17H24O4/c1-4-6-7-13(5-2)12-21-17(19)15-10-8-14(9-11-15)16(18)20-3/h8-11,13H,4-7,12H2,1-3H3
InChIKey
KHDNBLKBTBOSDJ-UHFFFAOYSA-N
Compound name
4-O-(2-ethylhexyl) 1-O-methyl benzene-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

59
Patents

292.16745 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.17473 170.3
[M+Na]+ 315.15667 180.3
[M+NH4]+ 310.20127 176.0
[M+K]+ 331.13061 174.9
[M-H]- 291.16017 170.3
[M+Na-2H]- 313.14212 173.7
[M]+ 292.16690 171.5
[M]- 292.16800 171.5
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