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]+ 287.123776 164.8
[M+Na]+ 309.105718 168.8
[M-H]- 285.109224 162.0
[M+NH4]+ 304.150323 177.6
[M+K]+ 325.079658 167.3
[M+H-H2O]+ 269.113760 157.5
[M+HCOO]- 331.114701 179.7
[M+CH3COO]- 345.130351 192.4
[M+Na-2H]- 307.091166 162.4
[M]+ 286.11595142 165.0
[M]- 286.11704858 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.