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]+ 453.466596 234.6
[M+Na]+ 475.448538 238.5
[M-H]- 451.452044 218.8
[M+NH4]+ 470.493143 235.0
[M+K]+ 491.422478 227.5
[M+H-H2O]+ 435.456580 226.3
[M+HCOO]- 497.457521 230.2
[M+CH3COO]- 511.473171 244.5
[M+Na-2H]- 473.433986 222.7
[M]+ 452.45877142 231.6
[M]- 452.45986858 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.