CID 102609

1335-49-5

Structural Information

Molecular Formula
C22H42O6
SMILES
CCCCCCCCCCCCCCCC(=O)OC(C)C(=O)OCC(CO)O
InChI
InChI=1S/C22H42O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(25)28-19(2)22(26)27-18-20(24)17-23/h19-20,23-24H,3-18H2,1-2H3
InChIKey
DCOCIAQCXDPXPG-UHFFFAOYSA-N
Compound name
[1-(2,3-dihydroxypropoxy)-1-oxopropan-2-yl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

402.29813 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.30541 204.0
[M+Na]+ 425.28735 214.8
[M+NH4]+ 420.33195 215.2
[M+K]+ 441.26129 212.3
[M-H]- 401.29085 205.2
[M+Na-2H]- 423.27280 199.5
[M]+ 402.29758 211.0
[M]- 402.29868 211.0
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