CID 5312399

Tsuzuic acid

Structural Information

Molecular Formula

C₁₄H₂₆O₂

SMILES

CCCCCCCCC/C=C\CCC(=O)O

InChI

InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h10-11H,2-9,12-13H2,1H3,(H,15,16)/b11-10-

InChIKey

CUVLOCDGQCUQSI-KHPPLWFESA-N

Compound name

(Z)-tetradec-4-enoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1562
Patents: 226.19328 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]+	227.200556	159.9
[M+Na]+	249.182498	163.8
[M-H]-	225.186004	157.4
[M+NH4]+	244.227103	177.5
[M+K]+	265.156438	160.7
[M+H-H2O]+	209.190540	154.2
[M+HCOO]-	271.191481	179.4
[M+CH3COO]-	285.207131	191.0
[M+Na-2H]-	247.167946	160.9
[M]+	226.19273142	163.1
[M]-	226.19382858	163.1

Literature stripe

literature stripe

Patent stripe

patents stripe