CID 46879024

Mg(15:0/0:0/0:0)

Structural Information

Molecular Formula
C18H36O4
SMILES
CCCCCCCCCCCCCCC(=O)OC[C@H](CO)O
InChI
InChI=1S/C18H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(21)22-16-17(20)15-19/h17,19-20H,2-16H2,1H3/t17-/m0/s1
InChIKey
QSKPZDMBULYMDQ-KRWDZBQOSA-N
Compound name
[(2S)-2,3-dihydroxypropyl] pentadecanoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

5
References

408
Patents

316.26135 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.26863 183.3
[M+Na]+ 339.25057 188.7
[M+NH4]+ 334.29517 187.0
[M+K]+ 355.22451 183.2
[M-H]- 315.25407 179.5
[M+Na-2H]- 337.23602 181.3
[M]+ 316.26080 182.4
[M]- 316.26190 182.4
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

patents stripe