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

174
Patents

141.04259 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.04987 124.5
[M+Na]+ 164.03181 133.6
[M-H]- 140.03531 127.0
[M+NH4]+ 159.07641 146.6
[M+K]+ 180.00575 132.8
[M+H-H2O]+ 124.03985 119.1
[M+HCOO]- 186.04079 147.8
[M+CH3COO]- 200.05644 171.4
[M+Na-2H]- 162.01726 128.7
[M]+ 141.04204 124.6
[M]- 141.04314 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