CID 98433

N-(2,5-dioxooxolan-3-yl)acetamide

Structural Information

Molecular Formula
C6H7NO4
SMILES
CC(=O)NC1CC(=O)OC1=O
InChI
InChI=1S/C6H7NO4/c1-3(8)7-4-2-5(9)11-6(4)10/h4H,2H2,1H3,(H,7,8)
InChIKey
JMQITILRHSGUCB-UHFFFAOYSA-N
Compound name
N-(2,5-dioxooxolan-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

157.0375 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.044776 127.9
[M+Na]+ 180.026718 135.8
[M-H]- 156.030224 132.5
[M+NH4]+ 175.071323 149.0
[M+K]+ 196.000658 136.7
[M+H-H2O]+ 140.034760 123.1
[M+HCOO]- 202.035701 151.7
[M+CH3COO]- 216.051351 176.0
[M+Na-2H]- 178.012166 132.4
[M]+ 157.03695142 128.0
[M]- 157.03804858 128.0
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