CID 260809

3-hydroxy-1-methylpyrrolidine-2,5-dione

Structural Information

Molecular Formula
C5H7NO3
SMILES
CN1C(=O)CC(C1=O)O
InChI
InChI=1S/C5H7NO3/c1-6-4(8)2-3(7)5(6)9/h3,7H,2H2,1H3
InChIKey
NLKACWKSCREJEL-UHFFFAOYSA-N
Compound name
3-hydroxy-1-methylpyrrolidine-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

10
References

64
Patents

129.04259 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.04987 124.3
[M+Na]+ 152.03181 134.1
[M+NH4]+ 147.07641 131.2
[M+K]+ 168.00575 132.2
[M-H]- 128.03531 123.2
[M+Na-2H]- 150.01726 126.9
[M]+ 129.04204 124.9
[M]- 129.04314 124.9
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