CID 5312403

10z,12e-tetradecadienoic acid

Structural Information

Molecular Formula

C₁₄H₂₄O₂

SMILES

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

InChI

InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-5H,6-13H2,1H3,(H,15,16)/b3-2+,5-4-

InChIKey

LVRDWSMHAOIPMQ-IAROGAJJSA-N

Compound name

(10Z,12E)-tetradeca-10,12-dienoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 224.17763 Da
Monoisotopic Mass: 4.7
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]+	225.18491	158.4
[M+Na]+	247.16685	162.7
[M-H]-	223.17035	156.0
[M+NH4]+	242.21145	176.1
[M+K]+	263.14079	159.0
[M+H-H2O]+	207.17489	152.9
[M+HCOO]-	269.17583	178.2
[M+CH3COO]-	283.19148	189.4
[M+Na-2H]-	245.15230	159.5
[M]+	224.17708	160.8
[M]-	224.17818	160.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe