CID 131779636

Mg(0:0/i-15:0/0:0)

Structural Information

Molecular Formula
C18H36O4
SMILES
CC(C)CCCCCCCCCCCC(=O)OC(CO)CO
InChI
InChI=1S/C18H36O4/c1-16(2)12-10-8-6-4-3-5-7-9-11-13-18(21)22-17(14-19)15-20/h16-17,19-20H,3-15H2,1-2H3
InChIKey
HDTLUTGUCYULDT-UHFFFAOYSA-N
Compound name
1,3-dihydroxypropan-2-yl 13-methyltetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.26135 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.26863 183.3
[M+Na]+ 339.25057 188.4
[M+NH4]+ 334.29517 186.9
[M+K]+ 355.22451 183.7
[M-H]- 315.25407 179.3
[M+Na-2H]- 337.23602 181.0
[M]+ 316.26080 182.3
[M]- 316.26190 182.3
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

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No patent data available for this compound.