CID 5312933

22-oxo-tricosanoic acid

Structural Information

Molecular Formula
C23H44O3
SMILES
CC(=O)CCCCCCCCCCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C23H44O3/c1-22(24)20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23(25)26/h2-21H2,1H3,(H,25,26)
InChIKey
DWIGCHXTZQHDFF-UHFFFAOYSA-N
Compound name
22-oxotricosanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

368.32904 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.33632 203.4
[M+Na]+ 391.31826 203.1
[M-H]- 367.32176 199.1
[M+NH4]+ 386.36286 214.9
[M+K]+ 407.29220 198.7
[M+H-H2O]+ 351.32630 195.8
[M+HCOO]- 413.32724 219.1
[M+CH3COO]- 427.34289 221.1
[M+Na-2H]- 389.30371 198.4
[M]+ 368.32849 210.8
[M]- 368.32959 210.8
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