CID 6436441

15957-72-9

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 166.5
[M+Na]+ 309.10572 170.9
[M+NH4]+ 304.15032 168.3
[M+K]+ 325.07966 171.5
[M-H]- 285.10922 160.8
[M+Na-2H]- 307.09117 164.0
[M]+ 286.11595 164.4
[M]- 286.11705 164.4
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.