CID 75149

2-(2-hydroxyethoxy)ethyl hydrogen phthalate

Structural Information

Molecular Formula
C12H14O6
SMILES
C1=CC=C(C(=C1)C(=O)O)C(=O)OCCOCCO
InChI
InChI=1S/C12H14O6/c13-5-6-17-7-8-18-12(16)10-4-2-1-3-9(10)11(14)15/h1-4,13H,5-8H2,(H,14,15)
InChIKey
LXGWAXWYTXWSOT-UHFFFAOYSA-N
Compound name
2-[2-(2-hydroxyethoxy)ethoxycarbonyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

392
Patents

254.07904 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.08632 155.3
[M+Na]+ 277.06826 164.4
[M+NH4]+ 272.11286 159.9
[M+K]+ 293.04220 161.1
[M-H]- 253.07176 153.5
[M+Na-2H]- 275.05371 158.0
[M]+ 254.07849 155.5
[M]- 254.07959 155.5
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