CID 139597028

Ns00095353

Structural Information

Molecular Formula
C22H44O5
SMILES
CCCCCCCCCCCCCCCCOCCC(=O)OCC(CO)O
InChI
InChI=1S/C22H44O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-26-18-16-22(25)27-20-21(24)19-23/h21,23-24H,2-20H2,1H3
InChIKey
SAVAUPZFPOAZEF-UHFFFAOYSA-N
Compound name
2,3-dihydroxypropyl 3-hexadecoxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.31888 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.326156 205.8
[M+Na]+ 411.308098 205.0
[M-H]- 387.311604 200.1
[M+NH4]+ 406.352703 207.0
[M+K]+ 427.282038 201.8
[M+H-H2O]+ 371.316140 198.0
[M+HCOO]- 433.317081 215.9
[M+CH3COO]- 447.332731 219.5
[M+Na-2H]- 409.293546 201.0
[M]+ 388.31833142 214.4
[M]- 388.31942858 214.4
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.