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
5
Annotation Hits

4
References

29040
Patents

254.07904 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.08632 154.2
[M+Na]+ 277.06826 160.1
[M-H]- 253.07176 154.9
[M+NH4]+ 272.11286 169.5
[M+K]+ 293.04220 158.9
[M+H-H2O]+ 237.07630 147.8
[M+HCOO]- 299.07724 174.5
[M+CH3COO]- 313.09289 187.6
[M+Na-2H]- 275.05371 156.8
[M]+ 254.07849 157.7
[M]- 254.07959 157.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe