CID 53480996

Mg 24:0

Structural Information

Molecular Formula
C27H54O4
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)O
InChI
InChI=1S/C27H54O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27(30)31-25-26(29)24-28/h26,28-29H,2-25H2,1H3/t26-/m0/s1
InChIKey
KIWLCEXSSGNBJU-SANMLTNESA-N
Compound name
[(2S)-2,3-dihydroxypropyl] tetracosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

419
Patents

442.40222 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.40950 225.1
[M+Na]+ 465.39144 229.2
[M-H]- 441.39494 210.6
[M+NH4]+ 460.43604 221.9
[M+K]+ 481.36538 217.4
[M+H-H2O]+ 425.39948 216.7
[M+HCOO]- 487.40042 229.7
[M+CH3COO]- 501.41607 232.1
[M+Na-2H]- 463.37689 217.7
[M]+ 442.40167 223.6
[M]- 442.40277 223.6
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