CID 12236003

2-(2-hydroxyethoxy)ethyl (2-hydroxyethyl) terephthalate

Structural Information

Molecular Formula
C14H18O7
SMILES
C1=CC(=CC=C1C(=O)OCCO)C(=O)OCCOCCO
InChI
InChI=1S/C14H18O7/c15-5-7-19-9-10-21-14(18)12-3-1-11(2-4-12)13(17)20-8-6-16/h1-4,15-16H,5-10H2
InChIKey
AYVLVEOLEKBOTB-UHFFFAOYSA-N
Compound name
4-O-[2-(2-hydroxyethoxy)ethyl] 1-O-(2-hydroxyethyl) benzene-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

298.10526 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.112536 165.6
[M+Na]+ 321.094478 170.3
[M-H]- 297.097984 165.8
[M+NH4]+ 316.139083 179.0
[M+K]+ 337.068418 169.4
[M+H-H2O]+ 281.102520 158.4
[M+HCOO]- 343.103461 185.3
[M+CH3COO]- 357.119111 195.7
[M+Na-2H]- 319.079926 167.3
[M]+ 298.10471142 171.2
[M]- 298.10580858 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