CID 137701850

Methyl 2-oxo-3-(prop-2-en-1-yl)pyrrolidine-3-carboxylate

Structural Information

Molecular Formula
C9H13NO3
SMILES
COC(=O)C1(CCNC1=O)CC=C
InChI
InChI=1S/C9H13NO3/c1-3-4-9(8(12)13-2)5-6-10-7(9)11/h3H,1,4-6H2,2H3,(H,10,11)
InChIKey
MKNSPFFYEHVWAQ-UHFFFAOYSA-N
Compound name
methyl 2-oxo-3-prop-2-enylpyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.08954 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.09682 139.3
[M+Na]+ 206.07876 146.5
[M-H]- 182.08226 139.9
[M+NH4]+ 201.12336 160.8
[M+K]+ 222.05270 144.6
[M+H-H2O]+ 166.08680 134.4
[M+HCOO]- 228.08774 159.1
[M+CH3COO]- 242.10339 176.4
[M+Na-2H]- 204.06421 142.2
[M]+ 183.08899 137.8
[M]- 183.09009 137.8
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.