CID 566764

50515-99-6

Structural Information

Molecular Formula
C15H28O4
SMILES
COC(=O)CCCCCCCCCCCCC(=O)O
InChI
InChI=1S/C15H28O4/c1-19-15(18)13-11-9-7-5-3-2-4-6-8-10-12-14(16)17/h2-13H2,1H3,(H,16,17)
InChIKey
HUWSPEBQZBPAJX-UHFFFAOYSA-N
Compound name
14-methoxy-14-oxotetradecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

272.19876 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.206036 170.4
[M+Na]+ 295.187978 173.5
[M-H]- 271.191484 167.7
[M+NH4]+ 290.232583 185.9
[M+K]+ 311.161918 171.7
[M+H-H2O]+ 255.196020 164.2
[M+HCOO]- 317.196961 189.1
[M+CH3COO]- 331.212611 198.7
[M+Na-2H]- 293.173426 169.7
[M]+ 272.19821142 176.2
[M]- 272.19930858 176.2
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