CID 15151269

2,3-dihydroxypropyl nonadecanoate

Structural Information

Molecular Formula
C22H44O4
SMILES
CCCCCCCCCCCCCCCCCCC(=O)OCC(CO)O
InChI
InChI=1S/C22H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)26-20-21(24)19-23/h21,23-24H,2-20H2,1H3
InChIKey
WWTTXMMZHOBTAM-UHFFFAOYSA-N
Compound name
2,3-dihydroxypropyl nonadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

38
Patents

372.32397 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.331246 203.6
[M+Na]+ 395.313188 203.0
[M-H]- 371.316694 198.0
[M+NH4]+ 390.357793 203.8
[M+K]+ 411.287128 199.2
[M+H-H2O]+ 355.321230 196.1
[M+HCOO]- 417.322171 218.2
[M+CH3COO]- 431.337821 217.6
[M+Na-2H]- 393.298636 198.7
[M]+ 372.32342142 210.8
[M]- 372.32451858 210.8
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