CID 94840612

Schembl25354380

Structural Information

Molecular Formula
C22H44O4
SMILES
CCCCCCCCCCCCCCCCCCC(=O)OC[C@@H](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/t21-/m1/s1
InChIKey
WWTTXMMZHOBTAM-OAQYLSRUSA-N
Compound name
[(2R)-2,3-dihydroxypropyl] nonadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

372.32397 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.33125 200.5
[M+Na]+ 395.31319 205.1
[M+NH4]+ 390.35779 209.2
[M+K]+ 411.28713 198.7
[M-H]- 371.31669 196.6
[M+Na-2H]- 393.29864 197.6
[M]+ 372.32342 199.4
[M]- 372.32452 199.4
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

patents stripe