CID 6452369

Propylene dimyristate

Structural Information

Molecular Formula
C31H60O4
SMILES
CCCCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C31H60O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-30(32)34-28-29(3)35-31(33)27-25-23-21-19-17-15-13-11-9-7-5-2/h29H,4-28H2,1-3H3
InChIKey
NRRPJRVSNIJDAP-UHFFFAOYSA-N
Compound name
2-tetradecanoyloxypropyl tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

184
Patents

496.44916 Da
Monoisotopic Mass

12.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.45644 237.4
[M+Na]+ 519.43838 244.4
[M-H]- 495.44188 224.9
[M+NH4]+ 514.48298 241.1
[M+K]+ 535.41232 243.9
[M+H-H2O]+ 479.44642 239.2
[M+HCOO]- 541.44736 242.9
[M+CH3COO]- 555.46301 247.9
[M+Na-2H]- 517.42383 224.4
[M]+ 496.44861 238.6
[M]- 496.44971 238.6
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