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]+ 321.154406 173.2
[M+Na]+ 343.136348 176.0
[M-H]- 319.139854 166.9
[M+NH4]+ 338.180953 170.2
[M+K]+ 359.110288 174.9
[M+H-H2O]+ 303.144390 168.3
[M+HCOO]- 365.145331 181.2
[M+CH3COO]- 379.160981 195.7
[M+Na-2H]- 341.121796 174.5
[M]+ 320.14658142 176.8
[M]- 320.14767858 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.