CID 6436442

15957-73-0

Structural Information

Molecular Formula
C13H20N2O6
SMILES
CCC(COC(=O)/C=C\C(=O)OCCN1CCNC1=O)O
InChI
InChI=1S/C13H20N2O6/c1-2-10(16)9-21-12(18)4-3-11(17)20-8-7-15-6-5-14-13(15)19/h3-4,10,16H,2,5-9H2,1H3,(H,14,19)/b4-3-
InChIKey
URNIKBZAMSRPMA-ARJAWSKDSA-N
Compound name
4-O-(2-hydroxybutyl) 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

300.13214 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.13942 170.7
[M+Na]+ 323.12136 174.9
[M+NH4]+ 318.16596 172.3
[M+K]+ 339.09530 175.3
[M-H]- 299.12486 165.0
[M+Na-2H]- 321.10681 168.0
[M]+ 300.13159 168.6
[M]- 300.13269 168.6
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.