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

16
Patents

200.07971 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.086986 141.5
[M+Na]+ 223.068928 148.2
[M-H]- 199.072434 143.3
[M+NH4]+ 218.113533 160.5
[M+K]+ 239.042868 148.0
[M+H-H2O]+ 183.076970 135.3
[M+HCOO]- 245.077911 162.7
[M+CH3COO]- 259.093561 185.1
[M+Na-2H]- 221.054376 141.7
[M]+ 200.07916142 140.6
[M]- 200.08025858 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