CID 15178464

Isostearyl laurate

Structural Information

Molecular Formula
C30H60O2
SMILES
CCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C30H60O2/c1-4-5-6-7-8-14-18-21-24-27-30(31)32-28-25-22-19-16-13-11-9-10-12-15-17-20-23-26-29(2)3/h29H,4-28H2,1-3H3
InChIKey
WPIOBXGJZUSKGK-UHFFFAOYSA-N
Compound name
16-methylheptadecyl dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1838
Patents

452.45932 Da
Monoisotopic Mass

13.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.46660 228.6
[M+Na]+ 475.44854 235.1
[M+NH4]+ 470.49314 233.1
[M+K]+ 491.42248 232.9
[M-H]- 451.45204 217.4
[M+Na-2H]- 473.43399 225.8
[M]+ 452.45877 229.1
[M]- 452.45987 229.1
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