CID 4738123

Methyl 2-oxopyrrolidine-3-carboxylate

Structural Information

Molecular Formula
C6H9NO3
SMILES
COC(=O)C1CCNC1=O
InChI
InChI=1S/C6H9NO3/c1-10-6(9)4-2-3-7-5(4)8/h4H,2-3H2,1H3,(H,7,8)
InChIKey
BFDDWABERUPPIN-UHFFFAOYSA-N
Compound name
methyl 2-oxopyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

143.05824 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.06552 129.7
[M+Na]+ 166.04746 138.3
[M+NH4]+ 161.09206 136.4
[M+K]+ 182.02140 136.5
[M-H]- 142.05096 128.3
[M+Na-2H]- 164.03291 132.1
[M]+ 143.05769 130.0
[M]- 143.05879 130.0
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