CID 89702

Icosyl palmitate

Structural Information

Molecular Formula
C36H72O2
SMILES
CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C36H72O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h3-35H2,1-2H3
InChIKey
OMQAAHBXTQQRLA-UHFFFAOYSA-N
Compound name
icosyl hexadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

210
Patents

536.5532 Da
Monoisotopic Mass

17.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.56048 254.3
[M+Na]+ 559.54242 259.7
[M-H]- 535.54592 234.5
[M+NH4]+ 554.58702 252.7
[M+K]+ 575.51636 260.9
[M+H-H2O]+ 519.55046 253.8
[M+HCOO]- 581.55140 261.4
[M+CH3COO]- 595.56705 258.6
[M+Na-2H]- 557.52787 237.9
[M]+ 536.55265 255.1
[M]- 536.55375 255.1
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