CID 42956

Hexadecyl 2-ethylhexanoate

Structural Information

Molecular Formula
C24H48O2
SMILES
CCCCCCCCCCCCCCCCOC(=O)C(CC)CCCC
InChI
InChI=1S/C24H48O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-22-26-24(25)23(6-3)21-8-5-2/h23H,4-22H2,1-3H3
InChIKey
XJNUECKWDBNFJV-UHFFFAOYSA-N
Compound name
hexadecyl 2-ethylhexanoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

22834
Patents

368.36542 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.372696 206.9
[M+Na]+ 391.354638 206.5
[M-H]- 367.358144 203.9
[M+NH4]+ 386.399243 219.4
[M+K]+ 407.328578 202.8
[M+H-H2O]+ 351.362680 199.1
[M+HCOO]- 413.363621 223.4
[M+CH3COO]- 427.379271 224.9
[M+Na-2H]- 389.340086 201.7
[M]+ 368.36487142 215.8
[M]- 368.36596858 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

literature stripe

Patent stripe

patents stripe