CID 131779653

Mg(0:0/i-16:0/0:0)

Structural Information

Molecular Formula
C19H38O4
SMILES
CC(C)CCCCCCCCCCCCC(=O)OC(CO)CO
InChI
InChI=1S/C19H38O4/c1-17(2)13-11-9-7-5-3-4-6-8-10-12-14-19(22)23-18(15-20)16-21/h17-18,20-21H,3-16H2,1-2H3
InChIKey
ITYNPYUDZAXHPL-UHFFFAOYSA-N
Compound name
1,3-dihydroxypropan-2-yl 14-methylpentadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.277 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.28428 187.6
[M+Na]+ 353.26622 192.5
[M+NH4]+ 348.31082 191.1
[M+K]+ 369.24016 187.6
[M-H]- 329.26972 183.5
[M+Na-2H]- 351.25167 185.0
[M]+ 330.27645 186.5
[M]- 330.27755 186.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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No patent data available for this compound.