CID 18769597

676558-37-5

Structural Information

Molecular Formula
C6H7NO3
SMILES
C1CC(=O)N(C1=O)CC=O
InChI
InChI=1S/C6H7NO3/c8-4-3-7-5(9)1-2-6(7)10/h4H,1-3H2
InChIKey
WWNROKMSDUGWSV-UHFFFAOYSA-N
Compound name
2-(2,5-dioxopyrrolidin-1-yl)acetaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

180
Patents

141.04259 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.049866 124.5
[M+Na]+ 164.031808 133.6
[M-H]- 140.035314 127.0
[M+NH4]+ 159.076413 146.6
[M+K]+ 180.005748 132.8
[M+H-H2O]+ 124.039850 119.1
[M+HCOO]- 186.040791 147.8
[M+CH3COO]- 200.056441 171.4
[M+Na-2H]- 162.017256 128.7
[M]+ 141.04204142 124.6
[M]- 141.04313858 124.6
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