CID 14513431

Schembl1301354

Structural Information

Molecular Formula

C₁₄H₂₆O₂

SMILES

CCCCCCC/C=C/CCCCC(=O)O

InChI

InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h8-9H,2-7,10-13H2,1H3,(H,15,16)/b9-8+

InChIKey

WOOJTOCLPCVUBF-CMDGGOBGSA-N

Compound name

(E)-tetradec-6-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 226.19328 Da
Monoisotopic Mass: 5.1
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]+	227.20056	159.9
[M+Na]+	249.18250	163.8
[M-H]-	225.18600	157.4
[M+NH4]+	244.22710	177.5
[M+K]+	265.15644	160.7
[M+H-H2O]+	209.19054	154.2
[M+HCOO]-	271.19148	179.4
[M+CH3COO]-	285.20713	191.0
[M+Na-2H]-	247.16795	160.9
[M]+	226.19273	163.1
[M]-	226.19383	163.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe