CID 129662470

(z)-6-tetradecene-1,3-diyne-5,8-diol

Structural Information

Molecular Formula

C₁₄H₂₀O₂

SMILES

CCCCCCC(/C=C\C(C#CC#C)O)O

InChI

InChI=1S/C14H20O2/c1-3-5-7-8-10-14(16)12-11-13(15)9-6-4-2/h2,11-16H,3,5,7-8,10H2,1H3/b12-11-

InChIKey

AGXXOOILRXZQTH-QXMHVHEDSA-N

Compound name

(Z)-tetradec-6-en-1,3-diyne-5,8-diol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 220.14633 Da
Monoisotopic Mass: 2.8
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]+	221.15361	170.0
[M+Na]+	243.13555	176.2
[M+NH4]+	238.18015	169.1
[M+K]+	259.10949	166.7
[M-H]-	219.13905	156.5
[M+Na-2H]-	241.12100	165.7
[M]+	220.14578	165.6
[M]-	220.14688	165.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.