CID 69060

Bis(2-ethoxyethyl) phthalate

Structural Information

Molecular Formula
C16H22O6
SMILES
CCOCCOC(=O)C1=CC=CC=C1C(=O)OCCOCC
InChI
InChI=1S/C16H22O6/c1-3-19-9-11-21-15(17)13-7-5-6-8-14(13)16(18)22-12-10-20-4-2/h5-8H,3-4,9-12H2,1-2H3
InChIKey
RMKYMNRQXYPJHL-UHFFFAOYSA-N
Compound name
bis(2-ethoxyethyl) benzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

389
Patents

310.14163 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.148906 171.8
[M+Na]+ 333.130848 176.8
[M-H]- 309.134354 174.5
[M+NH4]+ 328.175453 186.3
[M+K]+ 349.104788 176.4
[M+H-H2O]+ 293.138890 164.1
[M+HCOO]- 355.139831 193.7
[M+CH3COO]- 369.155481 204.3
[M+Na-2H]- 331.116296 173.3
[M]+ 310.14108142 180.5
[M]- 310.14217858 180.5
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