CID 56842363

Pentadecyl 5-oxo-l-prolinate

Structural Information

Molecular Formula
C20H37NO3
SMILES
CCCCCCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1
InChI
InChI=1S/C20H37NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-24-20(23)18-15-16-19(22)21-18/h18H,2-17H2,1H3,(H,21,22)/t18-/m0/s1
InChIKey
LRRMPIXOZBIOGX-SFHVURJKSA-N
Compound name
pentadecyl (2S)-5-oxopyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.27734 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.284616 191.3
[M+Na]+ 362.266558 192.4
[M-H]- 338.270064 189.4
[M+NH4]+ 357.311163 204.4
[M+K]+ 378.240498 188.3
[M+H-H2O]+ 322.274600 183.1
[M+HCOO]- 384.275541 207.1
[M+CH3COO]- 398.291191 210.7
[M+Na-2H]- 360.252006 187.0
[M]+ 339.27679142 194.2
[M]- 339.27788858 194.2
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.