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

288
Patents

228.17255 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.179826 158.4
[M+Na]+ 251.161768 162.4
[M-H]- 227.165274 156.1
[M+NH4]+ 246.206373 175.7
[M+K]+ 267.135708 160.5
[M+H-H2O]+ 211.169810 152.8
[M+HCOO]- 273.170751 177.5
[M+CH3COO]- 287.186401 191.4
[M+Na-2H]- 249.147216 158.7
[M]+ 228.17200142 162.1
[M]- 228.17309858 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