CID 454063

6-oxotetradecanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

242.1882 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.19548 161.8
[M+Na]+ 265.17742 169.1
[M+NH4]+ 260.22202 166.9
[M+K]+ 281.15136 163.6
[M-H]- 241.18092 159.0
[M+Na-2H]- 263.16287 161.8
[M]+ 242.18765 161.6
[M]- 242.18875 161.6
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