CID 67461794

Methyl 5-oxo-1-(propan-2-yl)pyrrolidine-2-carboxylate

Structural Information

Molecular Formula
C9H15NO3
SMILES
CC(C)N1C(CCC1=O)C(=O)OC
InChI
InChI=1S/C9H15NO3/c1-6(2)10-7(9(12)13-3)4-5-8(10)11/h6-7H,4-5H2,1-3H3
InChIKey
HBRMNPXGFMAHRX-UHFFFAOYSA-N
Compound name
methyl 5-oxo-1-propan-2-ylpyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

185.1052 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 186.11248 141.7
[M+Na]+ 208.09442 150.3
[M+NH4]+ 203.13902 148.1
[M+K]+ 224.06836 148.5
[M-H]- 184.09792 140.6
[M+Na-2H]- 206.07987 143.4
[M]+ 185.10465 142.1
[M]- 185.10575 142.1
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

patents stripe