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

181
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

literature stripe

Patent stripe

patents stripe