CID 1822554

1-(2-methoxyethyl)-4-((2-oxo-1-pyrrolidinyl)acetyl)piperazine (z)-2-butenedioate (1:1)

Structural Information

Molecular Formula
C13H23N3O3
SMILES
COCCN1CCN(CC1)C(=O)CN2CCCC2=O
InChI
InChI=1S/C13H23N3O3/c1-19-10-9-14-5-7-15(8-6-14)13(18)11-16-4-2-3-12(16)17/h2-11H2,1H3
InChIKey
JFFQNEVMHPRROM-UHFFFAOYSA-N
Compound name
1-[2-[4-(2-methoxyethyl)piperazin-1-yl]-2-oxoethyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.17395 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.18123 166.1
[M+Na]+ 292.16317 173.8
[M+NH4]+ 287.20777 171.3
[M+K]+ 308.13711 171.1
[M-H]- 268.16667 165.5
[M+Na-2H]- 290.14862 167.7
[M]+ 269.17340 166.4
[M]- 269.17450 166.4
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.