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]+ 256.12918 157.7
[M+Na]+ 278.11112 163.4
[M-H]- 254.11462 159.6
[M+NH4]+ 273.15572 172.0
[M+K]+ 294.08506 162.0
[M+H-H2O]+ 238.11916 149.0
[M+HCOO]- 300.12010 173.0
[M+CH3COO]- 314.13575 192.6
[M+Na-2H]- 276.09657 156.6
[M]+ 255.12135 155.0
[M]- 255.12245 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