CID 131779646

Mg(i-12:0/0:0/0:0)

Structural Information

Molecular Formula
C15H30O4
SMILES
CC(C)CCCCCCCCC(=O)OC[C@@H](CO)O
InChI
InChI=1S/C15H30O4/c1-13(2)9-7-5-3-4-6-8-10-15(18)19-12-14(17)11-16/h13-14,16-17H,3-12H2,1-2H3/t14-/m1/s1
InChIKey
WZACGBROLPZZKX-CQSZACIVSA-N
Compound name
[(2R)-2,3-dihydroxypropyl] 10-methylundecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.21442 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.22170 173.0
[M+Na]+ 297.20364 175.2
[M-H]- 273.20714 168.9
[M+NH4]+ 292.24824 187.7
[M+K]+ 313.17758 173.6
[M+H-H2O]+ 257.21168 167.0
[M+HCOO]- 319.21262 189.0
[M+CH3COO]- 333.22827 197.9
[M+Na-2H]- 295.18909 170.4
[M]+ 274.21387 176.9
[M]- 274.21497 176.9
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.