CID 111362

68784-91-8

Structural Information

Molecular Formula
C30H60O2
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC(CC(C)C)CC(C)CC(C)C
InChI
InChI=1S/C30H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-30(31)32-29(24-27(4)5)25-28(6)23-26(2)3/h26-29H,7-25H2,1-6H3
InChIKey
QCFGBQPPERBYMA-UHFFFAOYSA-N
Compound name
2,6,8-trimethylnonan-4-yl octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.45932 Da
Monoisotopic Mass

13.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.46660 234.6
[M+Na]+ 475.44854 238.5
[M-H]- 451.45204 218.8
[M+NH4]+ 470.49314 235.0
[M+K]+ 491.42248 227.5
[M+H-H2O]+ 435.45658 226.3
[M+HCOO]- 497.45752 230.2
[M+CH3COO]- 511.47317 244.5
[M+Na-2H]- 473.43399 222.7
[M]+ 452.45877 231.6
[M]- 452.45987 231.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.