CID 22840771

Undecyl 5-oxo-l-prolinate

Structural Information

Molecular Formula
C16H29NO3
SMILES
CCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1
InChI
InChI=1S/C16H29NO3/c1-2-3-4-5-6-7-8-9-10-13-20-16(19)14-11-12-15(18)17-14/h14H,2-13H2,1H3,(H,17,18)/t14-/m0/s1
InChIKey
XWCIHBWSVCHGIS-AWEZNQCLSA-N
Compound name
undecyl (2S)-5-oxopyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

283.21475 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.222026 173.6
[M+Na]+ 306.203968 176.5
[M-H]- 282.207474 172.5
[M+NH4]+ 301.248573 189.0
[M+K]+ 322.177908 173.4
[M+H-H2O]+ 266.212010 166.2
[M+HCOO]- 328.212951 190.8
[M+CH3COO]- 342.228601 198.8
[M+Na-2H]- 304.189416 171.4
[M]+ 283.21420142 175.0
[M]- 283.21529858 175.0
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