CID 462486

N,o-didecanoyl serinal dimethylacetal

Structural Information

Molecular Formula
C25H49NO5
SMILES
CCCCCCCCCC(=O)NC(COC(=O)CCCCCCCCC)C(OC)OC
InChI
InChI=1S/C25H49NO5/c1-5-7-9-11-13-15-17-19-23(27)26-22(25(29-3)30-4)21-31-24(28)20-18-16-14-12-10-8-6-2/h22,25H,5-21H2,1-4H3,(H,26,27)
InChIKey
JPRCAMOWTILLSU-UHFFFAOYSA-N
Compound name
[2-(decanoylamino)-3,3-dimethoxypropyl] decanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

22
Patents

443.36108 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.36836 226.7
[M+Na]+ 466.35030 235.6
[M-H]- 442.35380 220.8
[M+NH4]+ 461.39490 231.9
[M+K]+ 482.32424 232.1
[M+H-H2O]+ 426.35834 213.3
[M+HCOO]- 488.35928 230.0
[M+CH3COO]- 502.37493 238.4
[M+Na-2H]- 464.33575 215.7
[M]+ 443.36053 225.7
[M]- 443.36163 225.7
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