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: 19
Patents: 272.19876 Da
Monoisotopic Mass: 4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	273.20604	169.0
[M+Na]+	295.18798	175.6
[M+NH4]+	290.23258	173.4
[M+K]+	311.16192	170.4
[M-H]-	271.19148	165.6
[M+Na-2H]-	293.17343	168.3
[M]+	272.19821	168.4
[M]-	272.19931	168.4

Literature stripe

literature stripe

Patent stripe

patents stripe