CID 75519

Methyl tricosanoate

Structural Information

Molecular Formula
C24H48O2
SMILES
CCCCCCCCCCCCCCCCCCCCCCC(=O)OC
InChI
InChI=1S/C24H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-2/h3-23H2,1-2H3
InChIKey
VORKGRIRMPBCCZ-UHFFFAOYSA-N
Compound name
methyl tricosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

252
Patents

368.36542 Da
Monoisotopic Mass

11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.37270 202.8
[M+Na]+ 391.35464 209.5
[M+NH4]+ 386.39924 207.7
[M+K]+ 407.32858 200.1
[M-H]- 367.35814 201.2
[M+Na-2H]- 389.34009 201.9
[M]+ 368.36487 203.0
[M]- 368.36597 203.0
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