CID 3023957

2-dodecylhexadecyl palmitate

Structural Information

Molecular Formula
C44H88O2
SMILES
CCCCCCCCCCCCCCCC(=O)OCC(CCCCCCCCCCCC)CCCCCCCCCCCCCC
InChI
InChI=1S/C44H88O2/c1-4-7-10-13-16-19-22-24-26-29-32-35-38-41-44(45)46-42-43(39-36-33-30-27-21-18-15-12-9-6-3)40-37-34-31-28-25-23-20-17-14-11-8-5-2/h43H,4-42H2,1-3H3
InChIKey
PKRQEAGAYQRYOD-UHFFFAOYSA-N
Compound name
2-dodecylhexadecyl hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

648.6784 Da
Monoisotopic Mass

21.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 649.68568 280.8
[M+Na]+ 671.66762 285.3
[M-H]- 647.67112 259.6
[M+NH4]+ 666.71222 280.6
[M+K]+ 687.64156 290.3
[M+H-H2O]+ 631.67566 280.0
[M+HCOO]- 693.67660 282.5
[M+CH3COO]- 707.69225 281.3
[M+Na-2H]- 669.65307 261.6
[M]+ 648.67785 281.1
[M]- 648.67895 281.1
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

No patent data available for this compound.