CID 128632

Aggreceride c

Structural Information

Molecular Formula
C20H40O4
SMILES
CC(C)CCCCCCCCCCCCCC(=O)OCC(CO)O
InChI
InChI=1S/C20H40O4/c1-18(2)14-12-10-8-6-4-3-5-7-9-11-13-15-20(23)24-17-19(22)16-21/h18-19,21-22H,3-17H2,1-2H3
InChIKey
NYBWZWSQGCROAE-UHFFFAOYSA-N
Compound name
2,3-dihydroxypropyl 15-methylhexadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

7
Patents

344.29266 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.29994 191.9
[M+Na]+ 367.28188 196.6
[M+NH4]+ 362.32648 195.2
[M+K]+ 383.25582 191.4
[M-H]- 343.28538 187.8
[M+Na-2H]- 365.26733 189.1
[M]+ 344.29211 190.8
[M]- 344.29321 190.8
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