CID 3023189

2-tetradecyloctadecyl 2-hexyldecanoate

Structural Information

Molecular Formula
C48H96O2
SMILES
CCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)COC(=O)C(CCCCCC)CCCCCCCC
InChI
InChI=1S/C48H96O2/c1-5-9-13-17-20-22-24-26-27-29-31-33-35-38-42-46(41-37-34-32-30-28-25-23-21-18-14-10-6-2)45-50-48(49)47(43-39-16-12-8-4)44-40-36-19-15-11-7-3/h46-47H,5-45H2,1-4H3
InChIKey
IYAMYTGYXORBLO-UHFFFAOYSA-N
Compound name
2-tetradecyloctadecyl 2-hexyldecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

704.741 Da
Monoisotopic Mass

23.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 705.74828 292.9
[M+Na]+ 727.73022 297.3
[M-H]- 703.73372 271.8
[M+NH4]+ 722.77482 294.3
[M+K]+ 743.70416 304.4
[M+H-H2O]+ 687.73826 292.3
[M+HCOO]- 749.73920 290.9
[M+CH3COO]- 763.75485 292.5
[M+Na-2H]- 725.71567 272.8
[M]+ 704.74045 293.3
[M]- 704.74155 293.3
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