CID 44553159

856188-06-2

Structural Information

Molecular Formula
C11H17N3O4
SMILES
CN1CCN(CC1)CC(=O)ON2C(=O)CCC2=O
InChI
InChI=1S/C11H17N3O4/c1-12-4-6-13(7-5-12)8-11(17)18-14-9(15)2-3-10(14)16/h2-8H2,1H3
InChIKey
OOKYGSFECMLZHC-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 2-(4-methylpiperazin-1-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

255.1219 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.129176 157.7
[M+Na]+ 278.111118 163.4
[M-H]- 254.114624 159.6
[M+NH4]+ 273.155723 172.0
[M+K]+ 294.085058 162.0
[M+H-H2O]+ 238.119160 149.0
[M+HCOO]- 300.120101 173.0
[M+CH3COO]- 314.135751 192.6
[M+Na-2H]- 276.096566 156.6
[M]+ 255.12135142 155.0
[M]- 255.12244858 155.0
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

patents stripe