CID 12365608

Brn 1535991

Structural Information

Molecular Formula
C8H12N2O4
SMILES
CC(=O)OC1CC(=O)N(C1)CC(=O)N
InChI
InChI=1S/C8H12N2O4/c1-5(11)14-6-2-8(13)10(3-6)4-7(9)12/h6H,2-4H2,1H3,(H2,9,12)
InChIKey
RWKHIXGKAQQZLM-UHFFFAOYSA-N
Compound name
[1-(2-amino-2-oxoethyl)-5-oxopyrrolidin-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

200.07971 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.08699 141.5
[M+Na]+ 223.06893 148.2
[M-H]- 199.07243 143.3
[M+NH4]+ 218.11353 160.5
[M+K]+ 239.04287 148.0
[M+H-H2O]+ 183.07697 135.3
[M+HCOO]- 245.07791 162.7
[M+CH3COO]- 259.09356 185.1
[M+Na-2H]- 221.05438 141.7
[M]+ 200.07916 140.6
[M]- 200.08026 140.6
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

patents stripe