CID 51693118

Mg(i-14:0/0:0/0:0)

Structural Information

Molecular Formula
C17H34O4
SMILES
CC(C)CCCCCCCCCCC(=O)OC[C@@H](CO)O
InChI
InChI=1S/C17H34O4/c1-15(2)11-9-7-5-3-4-6-8-10-12-17(20)21-14-16(19)13-18/h15-16,18-19H,3-14H2,1-2H3/t16-/m1/s1
InChIKey
ZGNRVILZVRTZON-MRXNPFEDSA-N
Compound name
[(2R)-2,3-dihydroxypropyl] 12-methyltridecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.2457 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.25298 182.1
[M+Na]+ 325.23492 183.4
[M-H]- 301.23842 177.6
[M+NH4]+ 320.27952 195.7
[M+K]+ 341.20886 181.3
[M+H-H2O]+ 285.24296 175.7
[M+HCOO]- 347.24390 197.4
[M+CH3COO]- 361.25955 203.8
[M+Na-2H]- 323.22037 178.5
[M]+ 302.24515 186.7
[M]- 302.24625 186.7
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.