CID 22839298

Decyl 5-oxo-l-prolinate

Structural Information

Molecular Formula
C15H27NO3
SMILES
CCCCCCCCCCOC(=O)[C@@H]1CCC(=O)N1
InChI
InChI=1S/C15H27NO3/c1-2-3-4-5-6-7-8-9-12-19-15(18)13-10-11-14(17)16-13/h13H,2-12H2,1H3,(H,16,17)/t13-/m0/s1
InChIKey
YWXABWYIMLHFSQ-ZDUSSCGKSA-N
Compound name
decyl (2S)-5-oxopyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

102
Patents

269.1991 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.206376 169.1
[M+Na]+ 292.188318 172.5
[M-H]- 268.191824 168.3
[M+NH4]+ 287.232923 185.1
[M+K]+ 308.162258 169.6
[M+H-H2O]+ 252.196360 161.9
[M+HCOO]- 314.197301 186.7
[M+CH3COO]- 328.212951 195.8
[M+Na-2H]- 290.173766 167.4
[M]+ 269.19855142 170.2
[M]- 269.19964858 170.2
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

patents stripe