CID 13739

Bis(2-hydroxyethyl) terephthalate

Structural Information

Molecular Formula

C₁₂H₁₄O₆

SMILES

C1=CC(=CC=C1C(=O)OCCO)C(=O)OCCO

InChI

InChI=1S/C12H14O6/c13-5-7-17-11(15)9-1-2-10(4-3-9)12(16)18-8-6-14/h1-4,13-14H,5-8H2

InChIKey

QPKOBORKPHRBPS-UHFFFAOYSA-N

Compound name

bis(2-hydroxyethyl) benzene-1,4-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 15399
Patents: 254.07904 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	255.08632	155.4
[M+Na]+	277.06826	164.6
[M+NH4]+	272.11286	160.1
[M+K]+	293.04220	161.3
[M-H]-	253.07176	153.6
[M+Na-2H]-	275.05371	158.2
[M]+	254.07849	155.7
[M]-	254.07959	155.7

Literature stripe

literature stripe

Patent stripe

patents stripe