CID 119031281

Ethyl 5-oxo-3-(propan-2-yl)pyrrolidine-3-carboxylate

Structural Information

Molecular Formula
C10H17NO3
SMILES
CCOC(=O)C1(CC(=O)NC1)C(C)C
InChI
InChI=1S/C10H17NO3/c1-4-14-9(13)10(7(2)3)5-8(12)11-6-10/h7H,4-6H2,1-3H3,(H,11,12)
InChIKey
PDJJFEISRGETBO-UHFFFAOYSA-N
Compound name
ethyl 5-oxo-3-propan-2-ylpyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

199.12085 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.128126 145.2
[M+Na]+ 222.110068 151.5
[M-H]- 198.113574 145.8
[M+NH4]+ 217.154673 166.1
[M+K]+ 238.084008 150.5
[M+H-H2O]+ 182.118110 140.3
[M+HCOO]- 244.119051 163.5
[M+CH3COO]- 258.134701 181.2
[M+Na-2H]- 220.095516 146.4
[M]+ 199.12030142 144.2
[M]- 199.12139858 144.2
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.