CID 57348009

134112-40-6

Structural Information

Molecular Formula
C42H84O2
SMILES
CCCCCCCCCCCCC(CCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C42H84O2/c1-5-7-9-11-13-15-21-25-29-33-37-41(36-32-28-24-14-12-10-8-6-2)39-44-42(43)38-34-30-26-22-19-17-16-18-20-23-27-31-35-40(3)4/h40-41H,5-39H2,1-4H3
InChIKey
WQFSSZCBOBCHLS-UHFFFAOYSA-N
Compound name
2-decyltetradecyl 16-methylheptadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

620.64716 Da
Monoisotopic Mass

20.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 621.65444 273.3
[M+Na]+ 643.63638 278.7
[M-H]- 619.63988 254.4
[M+NH4]+ 638.68098 274.8
[M+K]+ 659.61032 283.4
[M+H-H2O]+ 603.64442 273.3
[M+HCOO]- 665.64536 273.5
[M+CH3COO]- 679.66101 276.5
[M+Na-2H]- 641.62183 255.7
[M]+ 620.64661 273.8
[M]- 620.64771 273.8
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