CID 111361

68784-90-7

Structural Information

Molecular Formula
C28H56O2
SMILES
CCCCCCCCCCCCCCCC(=O)OC(CC(C)C)CC(C)CC(C)C
InChI
InChI=1S/C28H56O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28(29)30-27(22-25(4)5)23-26(6)21-24(2)3/h24-27H,7-23H2,1-6H3
InChIKey
CQCZSONTBHAKRK-UHFFFAOYSA-N
Compound name
2,6,8-trimethylnonan-4-yl hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.42804 Da
Monoisotopic Mass

12.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.43532 219.6
[M+Na]+ 447.41726 224.1
[M+NH4]+ 442.46186 230.5
[M+K]+ 463.39120 227.5
[M-H]- 423.42076 216.5
[M+Na-2H]- 445.40271 216.2
[M]+ 424.42749 219.0
[M]- 424.42859 219.0
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.