CID 5312409

Goshuyic acid

Structural Information

Molecular Formula

C₁₄H₂₄O₂

SMILES

CCCCC/C=C\C/C=C\CCCC(=O)O

InChI

InChI=1S/C14H24O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h6-7,9-10H,2-5,8,11-13H2,1H3,(H,15,16)/b7-6-,10-9-

InChIKey

HXHZGHRLVRFQDR-HZJYTTRNSA-N

Compound name

(5Z,8Z)-tetradeca-5,8-dienoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 4
References: 58
Patents: 224.17763 Da
Monoisotopic Mass: 4.4
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

literature stripe

Patent stripe

patents stripe