CID 137938

2-monomyristin

Structural Information

Molecular Formula
C17H34O4
SMILES
CCCCCCCCCCCCCC(=O)OC(CO)CO
InChI
InChI=1S/C17H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-16(14-18)15-19/h16,18-19H,2-15H2,1H3
InChIKey
TVIMZSOUQXNWHO-UHFFFAOYSA-N
Compound name
1,3-dihydroxypropan-2-yl tetradecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1252
Patents

302.2457 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.25298 178.9
[M+Na]+ 325.23492 184.6
[M+NH4]+ 320.27952 182.9
[M+K]+ 341.20886 179.3
[M-H]- 301.23842 175.2
[M+Na-2H]- 323.22037 177.3
[M]+ 302.24515 178.1
[M]- 302.24625 178.1
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