CID 3022308

2-hexyldecyl octanoate

Structural Information

Molecular Formula
C24H48O2
SMILES
CCCCCCCCC(CCCCCC)COC(=O)CCCCCCC
InChI
InChI=1S/C24H48O2/c1-4-7-10-13-15-17-20-23(19-16-12-9-6-3)22-26-24(25)21-18-14-11-8-5-2/h23H,4-22H2,1-3H3
InChIKey
NNHMAUVBQAHWPH-UHFFFAOYSA-N
Compound name
2-hexyldecyl octanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

368.36542 Da
Monoisotopic Mass

10.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.37270 202.9
[M+Na]+ 391.35464 209.3
[M+NH4]+ 386.39924 207.6
[M+K]+ 407.32858 200.6
[M-H]- 367.35814 201.1
[M+Na-2H]- 389.34009 201.7
[M]+ 368.36487 203.0
[M]- 368.36597 203.0
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

patents stripe