CID 78077379

2-(acetyloxy)tricosanoic acid

Structural Information

Molecular Formula
C25H48O4
SMILES
CCCCCCCCCCCCCCCCCCCCCC(C(=O)O)OC(=O)C
InChI
InChI=1S/C25H48O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(25(27)28)29-23(2)26/h24H,3-22H2,1-2H3,(H,27,28)
InChIKey
WQTRHYKCZVKXRJ-UHFFFAOYSA-N
Compound name
2-acetyloxytricosanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.35526 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.36254 215.7
[M+Na]+ 435.34448 214.4
[M-H]- 411.34798 203.7
[M+NH4]+ 430.38908 216.0
[M+K]+ 451.31842 210.6
[M+H-H2O]+ 395.35252 207.7
[M+HCOO]- 457.35346 220.5
[M+CH3COO]- 471.36911 228.9
[M+Na-2H]- 433.32993 208.5
[M]+ 412.35471 214.9
[M]- 412.35581 214.9
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

No patent data available for this compound.