CID 500249

Methyl 5-oxopyrrolidine-2-carboxylate

Structural Information

Molecular Formula
C6H9NO3
SMILES
COC(=O)C1CCC(=O)N1
InChI
InChI=1S/C6H9NO3/c1-10-6(9)4-2-3-5(8)7-4/h4H,2-3H2,1H3,(H,7,8)
InChIKey
HQGPKMSGXAUKHT-UHFFFAOYSA-N
Compound name
methyl 5-oxopyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

9
References

1391
Patents

143.05824 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.06552 128.2
[M+Na]+ 166.04746 135.4
[M-H]- 142.05096 129.0
[M+NH4]+ 161.09206 149.3
[M+K]+ 182.02140 134.8
[M+H-H2O]+ 126.05550 122.7
[M+HCOO]- 188.05644 148.7
[M+CH3COO]- 202.07209 168.7
[M+Na-2H]- 164.03291 131.2
[M]+ 143.05769 125.9
[M]- 143.05879 125.9
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.