CID 8344

Bis(2-methoxyethyl) phthalate

Structural Information

Molecular Formula
C14H18O6
SMILES
COCCOC(=O)C1=CC=CC=C1C(=O)OCCOC
InChI
InChI=1S/C14H18O6/c1-17-7-9-19-13(15)11-5-3-4-6-12(11)14(16)20-10-8-18-2/h3-6H,7-10H2,1-2H3
InChIKey
HSUIVCLOAAJSRE-UHFFFAOYSA-N
Compound name
bis(2-methoxyethyl) benzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

12
References

6504
Patents

282.11035 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.11763 163.0
[M+Na]+ 305.09957 172.8
[M+NH4]+ 300.14417 168.1
[M+K]+ 321.07351 168.5
[M-H]- 281.10307 162.2
[M+Na-2H]- 303.08502 166.5
[M]+ 282.10980 163.8
[M]- 282.11090 163.8
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