CID 4052410

3-oxotetracosanoic acid

Structural Information

Molecular Formula
C24H46O3
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)CC(=O)O
InChI
InChI=1S/C24H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-23(25)22-24(26)27/h2-22H2,1H3,(H,26,27)
InChIKey
LTCWTQLFMAJHBA-UHFFFAOYSA-N
Compound name
3-oxotetracosanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

382.3447 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.35198 207.7
[M+Na]+ 405.33392 207.1
[M-H]- 381.33742 203.2
[M+NH4]+ 400.37852 207.7
[M+K]+ 421.30786 202.4
[M+H-H2O]+ 365.34196 200.0
[M+HCOO]- 427.34290 217.0
[M+CH3COO]- 441.35855 224.0
[M+Na-2H]- 403.31937 202.3
[M]+ 382.34415 215.6
[M]- 382.34525 215.6
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