CID 6450435

Di(2,2-dimethylolpropyl) maleate

Structural Information

Molecular Formula
C14H24O8
SMILES
CC(CO)(CO)COC(=O)/C=C/C(=O)OCC(C)(CO)CO
InChI
InChI=1S/C14H24O8/c1-13(5-15,6-16)9-21-11(19)3-4-12(20)22-10-14(2,7-17)8-18/h3-4,15-18H,5-10H2,1-2H3/b4-3+
InChIKey
SGYWYFVTGBVUJD-ONEGZZNKSA-N
Compound name
bis[3-hydroxy-2-(hydroxymethyl)-2-methylpropyl] (E)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.14713 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.15441 173.2
[M+Na]+ 343.13635 176.0
[M-H]- 319.13985 166.9
[M+NH4]+ 338.18095 170.2
[M+K]+ 359.11029 174.9
[M+H-H2O]+ 303.14439 168.3
[M+HCOO]- 365.14533 181.2
[M+CH3COO]- 379.16098 195.7
[M+Na-2H]- 341.12180 174.5
[M]+ 320.14658 176.8
[M]- 320.14768 176.8
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.