CID 454062

8-oxotetradecanoic acid

Structural Information

Molecular Formula
C14H26O3
SMILES
CCCCCCC(=O)CCCCCCC(=O)O
InChI
InChI=1S/C14H26O3/c1-2-3-4-7-10-13(15)11-8-5-6-9-12-14(16)17/h2-12H2,1H3,(H,16,17)
InChIKey
WVTQGCAFSDHWMP-UHFFFAOYSA-N
Compound name
8-oxotetradecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

242.1882 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.19548 163.0
[M+Na]+ 265.17742 166.6
[M-H]- 241.18092 160.5
[M+NH4]+ 260.22202 179.7
[M+K]+ 281.15136 164.4
[M+H-H2O]+ 225.18546 157.2
[M+HCOO]- 287.18640 181.8
[M+CH3COO]- 301.20205 194.4
[M+Na-2H]- 263.16287 162.8
[M]+ 242.18765 167.1
[M]- 242.18875 167.1
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

No patent data available for this compound.