CID 95286

5146-68-9

Structural Information

Molecular Formula
C5H7NO3
SMILES
C1CC(=O)N(C1=O)CO
InChI
InChI=1S/C5H7NO3/c7-3-6-4(8)1-2-5(6)9/h7H,1-3H2
InChIKey
AZVYYSCOCHRFKW-UHFFFAOYSA-N
Compound name
1-(hydroxymethyl)pyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

228
Patents

129.04259 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.04987 122.3
[M+Na]+ 152.03181 131.1
[M-H]- 128.03531 123.5
[M+NH4]+ 147.07641 144.2
[M+K]+ 168.00575 130.2
[M+H-H2O]+ 112.03985 117.2
[M+HCOO]- 174.04079 144.2
[M+CH3COO]- 188.05644 166.6
[M+Na-2H]- 150.01726 126.5
[M]+ 129.04204 120.8
[M]- 129.04314 120.8
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

No patent data available for this compound.