CID 53749398

2-ethylhexyl isohexadecanoate

Structural Information

Molecular Formula
C24H48O2
SMILES
CCCCC(CC)COC(=O)CCCCCCCCCCCCC(C)C
InChI
InChI=1S/C24H48O2/c1-5-7-19-23(6-2)21-26-24(25)20-17-15-13-11-9-8-10-12-14-16-18-22(3)4/h22-23H,5-21H2,1-4H3
InChIKey
DAASORNPDPZLHE-UHFFFAOYSA-N
Compound name
2-ethylhexyl 14-methylpentadecanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

72
Patents

368.36542 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.372696 207.5
[M+Na]+ 391.354638 206.9
[M-H]- 367.358144 204.6
[M+NH4]+ 386.399243 220.0
[M+K]+ 407.328578 203.7
[M+H-H2O]+ 351.362680 199.8
[M+HCOO]- 413.363621 223.0
[M+CH3COO]- 427.379271 225.7
[M+Na-2H]- 389.340086 201.1
[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

No literature data available for this compound.

Patent stripe

patents stripe