CID 5312894

2-oxotetradecanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

242.1882 Da
Monoisotopic Mass

5.4
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

patents stripe