CID 110251

Triethylene glycol phthalate

Structural Information

Molecular Formula
C14H18O7
SMILES
C1=CC=C(C(=C1)C(=O)O)C(=O)OCCOCCOCCO
InChI
InChI=1S/C14H18O7/c15-5-6-19-7-8-20-9-10-21-14(18)12-4-2-1-3-11(12)13(16)17/h1-4,15H,5-10H2,(H,16,17)
InChIKey
NQEUTICDPLLXAY-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxycarbonyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

40
Patents

298.10526 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.11254 165.3
[M+Na]+ 321.09448 170.0
[M-H]- 297.09798 165.5
[M+NH4]+ 316.13908 178.6
[M+K]+ 337.06842 169.0
[M+H-H2O]+ 281.10252 158.1
[M+HCOO]- 343.10346 185.0
[M+CH3COO]- 357.11911 196.4
[M+Na-2H]- 319.07993 167.0
[M]+ 298.10471 171.0
[M]- 298.10581 171.0
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

patents stripe