CID 13118117

5-oxo-pyrrolidine-3-carboxylic acid methyl ester

Structural Information

Molecular Formula
C6H9NO3
SMILES
COC(=O)C1CC(=O)NC1
InChI
InChI=1S/C6H9NO3/c1-10-6(9)4-2-5(8)7-3-4/h4H,2-3H2,1H3,(H,7,8)
InChIKey
FJRTVLWHONLTLA-UHFFFAOYSA-N
Compound name
methyl 5-oxopyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

278
Patents

143.05824 Da
Monoisotopic Mass

-0.9
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

literature stripe

Patent stripe

patents stripe