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 191.1
[M+Na]+ 353.26622 191.5
[M-H]- 329.26972 186.2
[M+NH4]+ 348.31082 203.5
[M+K]+ 369.24016 189.0
[M+H-H2O]+ 313.27426 184.3
[M+HCOO]- 375.27520 205.7
[M+CH3COO]- 389.29085 209.7
[M+Na-2H]- 351.25167 186.4
[M]+ 330.27645 196.5
[M]- 330.27755 196.5
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

No patent data available for this compound.