CID 82201

1,3-dimyristin

Structural Information

Molecular Formula
C31H60O5
SMILES
CCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCC)O
InChI
InChI=1S/C31H60O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-30(33)35-27-29(32)28-36-31(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h29,32H,3-28H2,1-2H3
InChIKey
JADYBWICRJWGBW-UHFFFAOYSA-N
Compound name
(2-hydroxy-3-tetradecanoyloxypropyl) tetradecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

662
Patents

512.4441 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 513.45138 242.6
[M+Na]+ 535.43332 243.5
[M+NH4]+ 530.47792 243.5
[M+K]+ 551.40726 242.3
[M-H]- 511.43682 229.5
[M+Na-2H]- 533.41877 242.9
[M]+ 512.44355 239.1
[M]- 512.44465 239.1
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