CID 173414

Dodecyl 5-oxo-l-prolinate

Structural Information

Molecular Formula
C17H31NO3
SMILES
CCCCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1
InChI
InChI=1S/C17H31NO3/c1-2-3-4-5-6-7-8-9-10-11-14-21-17(20)15-12-13-16(19)18-15/h15H,2-14H2,1H3,(H,18,19)/t15-/m0/s1
InChIKey
HJXPPCPJEYUQFQ-HNNXBMFYSA-N
Compound name
dodecyl (2S)-5-oxopyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

866
Patents

297.2304 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.23768 178.1
[M+Na]+ 320.21962 180.5
[M-H]- 296.22312 176.8
[M+NH4]+ 315.26422 192.9
[M+K]+ 336.19356 177.1
[M+H-H2O]+ 280.22766 170.5
[M+HCOO]- 342.22860 194.9
[M+CH3COO]- 356.24425 201.8
[M+Na-2H]- 318.20507 175.3
[M]+ 297.22985 179.8
[M]- 297.23095 179.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe