CID 102262

2424-61-5

Structural Information

Molecular Formula

C₁₆H₂₈O₄

SMILES

CCCCCCCCCCCCOC(=O)C=CC(=O)O

InChI

InChI=1S/C16H28O4/c1-2-3-4-5-6-7-8-9-10-11-14-20-16(19)13-12-15(17)18/h12-13H,2-11,14H2,1H3,(H,17,18)

InChIKey

IIPCXIGUIPAGQB-UHFFFAOYSA-N

Compound name

4-dodecoxy-4-oxobut-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 2857
Patents: 284.19876 Da
Monoisotopic Mass: 5.3
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]+	285.20604	172.6
[M+Na]+	307.18798	179.2
[M+NH4]+	302.23258	176.6
[M+K]+	323.16192	173.7
[M-H]-	283.19148	169.0
[M+Na-2H]-	305.17343	171.6
[M]+	284.19821	172.0
[M]-	284.19931	172.0

Literature stripe

literature stripe

Patent stripe

patents stripe