CID 5312932

2-oxo-tricosanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

368.32904 Da
Monoisotopic Mass

10.2
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

literature stripe

Patent stripe

patents stripe