CID 131779650

Schembl30454941

Structural Information

Molecular Formula
C24H48O4
SMILES
CCCCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO
InChI
InChI=1S/C24H48O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(27)28-23(21-25)22-26/h23,25-26H,2-22H2,1H3
InChIKey
CIPMITAXICEYOT-UHFFFAOYSA-N
Compound name
1,3-dihydroxypropan-2-yl henicosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

400.35526 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.36254 212.3
[M+Na]+ 423.34448 210.8
[M-H]- 399.34798 206.3
[M+NH4]+ 418.38908 211.1
[M+K]+ 439.31842 206.5
[M+H-H2O]+ 383.35252 204.4
[M+HCOO]- 445.35346 220.0
[M+CH3COO]- 459.36911 223.4
[M+Na-2H]- 421.32993 206.3
[M]+ 400.35471 220.2
[M]- 400.35581 220.2
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