CID 6436441

2-hydroxypropyl 2-imidazolidinon-1-ylethyl maleate

Structural Information

Molecular Formula
C12H18N2O6
SMILES
CC(COC(=O)/C=C\C(=O)OCCN1CCNC1=O)O
InChI
InChI=1S/C12H18N2O6/c1-9(15)8-20-11(17)3-2-10(16)19-7-6-14-5-4-13-12(14)18/h2-3,9,15H,4-8H2,1H3,(H,13,18)/b3-2-
InChIKey
AYZBPYFIGQDPAL-IHWYPQMZSA-N
Compound name
4-O-(2-hydroxypropyl) 1-O-[2-(2-oxoimidazolidin-1-yl)ethyl] (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.1165 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12378 164.8
[M+Na]+ 309.10572 168.8
[M-H]- 285.10922 162.0
[M+NH4]+ 304.15032 177.6
[M+K]+ 325.07966 167.3
[M+H-H2O]+ 269.11376 157.5
[M+HCOO]- 331.11470 179.7
[M+CH3COO]- 345.13035 192.4
[M+Na-2H]- 307.09117 162.4
[M]+ 286.11595 165.0
[M]- 286.11705 165.0
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.