CID 75546

Methyl tetracosanoate

Structural Information

Molecular Formula
C25H50O2
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC
InChI
InChI=1S/C25H50O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-2/h3-24H2,1-2H3
InChIKey
XUDJZDNUVZHSKZ-UHFFFAOYSA-N
Compound name
methyl tetracosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

532
Patents

382.38107 Da
Monoisotopic Mass

12.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.38835 207.2
[M+Na]+ 405.37029 213.6
[M+NH4]+ 400.41489 214.7
[M+K]+ 421.34423 203.9
[M-H]- 381.37379 205.5
[M+Na-2H]- 403.35574 206.0
[M]+ 382.38052 207.3
[M]- 382.38162 207.3
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