CID 260809

19948-27-7

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

97
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 121.5
[M+Na]+ 152.03181 131.3
[M-H]- 128.03531 123.1
[M+NH4]+ 147.07641 143.8
[M+K]+ 168.00575 130.3
[M+H-H2O]+ 112.03985 116.8
[M+HCOO]- 174.04079 143.4
[M+CH3COO]- 188.05644 167.8
[M+Na-2H]- 150.01726 125.1
[M]+ 129.04204 120.5
[M]- 129.04314 120.5
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