CID 107251

2-ethylhexyl 5-oxo-l-prolinate

Structural Information

Molecular Formula
C13H23NO3
SMILES
CCCCC(CC)COC(=O)[C@@H]1CCC(=O)N1
InChI
InChI=1S/C13H23NO3/c1-3-5-6-10(4-2)9-17-13(16)11-7-8-12(15)14-11/h10-11H,3-9H2,1-2H3,(H,14,15)/t10?,11-/m0/s1
InChIKey
YEMWTVRIHVDMPF-DTIOYNMSSA-N
Compound name
2-ethylhexyl (2S)-5-oxopyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

241.1678 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.17508 160.2
[M+Na]+ 264.15702 166.9
[M+NH4]+ 259.20162 165.5
[M+K]+ 280.13096 164.3
[M-H]- 240.16052 158.2
[M+Na-2H]- 262.14247 160.4
[M]+ 241.16725 160.0
[M]- 241.16835 160.0
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