CID 22287965

Myristyl lignocerate

Structural Information

Molecular Formula
C38H76O2
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC
InChI
InChI=1S/C38H76O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-28-30-32-34-36-38(39)40-37-35-33-31-29-27-16-14-12-10-8-6-4-2/h3-37H2,1-2H3
InChIKey
LOWXUVGRLYPUDT-UHFFFAOYSA-N
Compound name
tetradecyl tetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

231
Patents

564.58453 Da
Monoisotopic Mass

18.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 565.59181 261.3
[M+Na]+ 587.57375 266.3
[M-H]- 563.57725 240.7
[M+NH4]+ 582.61835 259.5
[M+K]+ 603.54769 268.3
[M+H-H2O]+ 547.58179 260.5
[M+HCOO]- 609.58273 267.6
[M+CH3COO]- 623.59838 264.2
[M+Na-2H]- 585.55920 243.9
[M]+ 564.58398 261.8
[M]- 564.58508 261.8
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