CID 101603178

Vgmbkagmlbfalv-cgaiiqecsa-n

Structural Information

Molecular Formula
C25H45NO5
SMILES
CCCCCCCCCCCCCCCCOC(=O)[C@@H]1CC(CN1C(=O)C)OC(=O)C
InChI
InChI=1S/C25H45NO5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-30-25(29)24-19-23(31-22(3)28)20-26(24)21(2)27/h23-24H,4-20H2,1-3H3/t23?,24-/m0/s1
InChIKey
VGMBKAGMLBFALV-CGAIIQECSA-N
Compound name
hexadecyl (2S)-1-acetyl-4-acetyloxypyrrolidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

439.32977 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.33705 216.9
[M+Na]+ 462.31899 217.0
[M-H]- 438.32249 216.2
[M+NH4]+ 457.36359 226.7
[M+K]+ 478.29293 214.2
[M+H-H2O]+ 422.32703 208.4
[M+HCOO]- 484.32797 231.3
[M+CH3COO]- 498.34362 232.5
[M+Na-2H]- 460.30444 208.1
[M]+ 439.32922 224.7
[M]- 439.33032 224.7
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.