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

39
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 206.9
[M+Na]+ 391.35464 206.5
[M-H]- 367.35814 203.9
[M+NH4]+ 386.39924 219.4
[M+K]+ 407.32858 202.8
[M+H-H2O]+ 351.36268 199.1
[M+HCOO]- 413.36362 223.4
[M+CH3COO]- 427.37927 224.9
[M+Na-2H]- 389.34009 201.7
[M]+ 368.36487 215.8
[M]- 368.36597 215.8
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