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]+ 186.112476 140.1
[M+Na]+ 208.094418 147.3
[M-H]- 184.097924 142.4
[M+NH4]+ 203.139023 160.6
[M+K]+ 224.068358 147.3
[M+H-H2O]+ 168.102460 134.5
[M+HCOO]- 230.103401 160.3
[M+CH3COO]- 244.119051 182.5
[M+Na-2H]- 206.079866 140.4
[M]+ 185.10465142 140.8
[M]- 185.10574858 140.8
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

patents stripe