CID 3085853

Bis(2,2-dimethylolpropyl) phthalate

Structural Information

Molecular Formula
C18H26O8
SMILES
CC(CO)(CO)COC(=O)C1=CC=CC=C1C(=O)OCC(C)(CO)CO
InChI
InChI=1S/C18H26O8/c1-17(7-19,8-20)11-25-15(23)13-5-3-4-6-14(13)16(24)26-12-18(2,9-21)10-22/h3-6,19-22H,7-12H2,1-2H3
InChIKey
VBCOANABQMTRBN-UHFFFAOYSA-N
Compound name
bis[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] benzene-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.16278 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.17006 184.4
[M+Na]+ 393.15200 189.4
[M+NH4]+ 388.19660 185.7
[M+K]+ 409.12594 189.3
[M-H]- 369.15550 179.0
[M+Na-2H]- 391.13745 183.7
[M]+ 370.16223 182.9
[M]- 370.16333 182.9
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

No patent data available for this compound.