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 165.5
[M+Na]+ 292.16317 169.2
[M-H]- 268.16667 166.6
[M+NH4]+ 287.20777 179.0
[M+K]+ 308.13711 167.4
[M+H-H2O]+ 252.17121 156.0
[M+HCOO]- 314.17215 179.7
[M+CH3COO]- 328.18780 195.9
[M+Na-2H]- 290.14862 163.8
[M]+ 269.17340 162.3
[M]- 269.17450 162.3
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.