CID 56604910

Mg(13:0/0:0/0:0)

Structural Information

Molecular Formula
C16H32O4
SMILES
CCCCCCCCCCCCC(=O)OC[C@@H](CO)O
InChI
InChI=1S/C16H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-16(19)20-14-15(18)13-17/h15,17-18H,2-14H2,1H3/t15-/m1/s1
InChIKey
CLRCAFAXMVNJRH-OAHLLOKOSA-N
Compound name
[(2R)-2,3-dihydroxypropyl] tridecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.23007 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.23735 177.1
[M+Na]+ 311.21929 179.0
[M-H]- 287.22279 172.7
[M+NH4]+ 306.26389 191.2
[M+K]+ 327.19323 176.7
[M+H-H2O]+ 271.22733 170.7
[M+HCOO]- 333.22827 193.7
[M+CH3COO]- 347.24392 199.9
[M+Na-2H]- 309.20474 175.2
[M]+ 288.22952 182.0
[M]- 288.23062 182.0
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.