CID 5282989

2-keto tridecanoic acid

Structural Information

Molecular Formula
C13H24O3
SMILES
CCCCCCCCCCCC(=O)C(=O)O
InChI
InChI=1S/C13H24O3/c1-2-3-4-5-6-7-8-9-10-11-12(14)13(15)16/h2-11H2,1H3,(H,15,16)
InChIKey
ICUSPHFFJKGZCW-UHFFFAOYSA-N
Compound name
2-oxotridecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

232
Patents

228.17255 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.17983 158.4
[M+Na]+ 251.16177 162.4
[M-H]- 227.16527 156.1
[M+NH4]+ 246.20637 175.7
[M+K]+ 267.13571 160.5
[M+H-H2O]+ 211.16981 152.8
[M+HCOO]- 273.17075 177.5
[M+CH3COO]- 287.18640 191.4
[M+Na-2H]- 249.14722 158.7
[M]+ 228.17200 162.1
[M]- 228.17310 162.1
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