CID 87656835

Tetradeca-4,6-diene-8,10,12-triyne-1-ol

Structural Information

Molecular Formula

C₁₄H₁₄O₂

SMILES

CC#CC#CC#C/C=C/C1C(O1)CCCO

InChI

InChI=1S/C14H14O2/c1-2-3-4-5-6-7-8-10-13-14(16-13)11-9-12-15/h8,10,13-15H,9,11-12H2,1H3/b10-8+

InChIKey

CYDWHOCCNIFEEG-CSKARUKUSA-N

Compound name

3-[3-[(E)-non-1-en-3,5,7-triynyl]oxiran-2-yl]propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 214.09938 Da
Monoisotopic Mass: 2.0
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]+	215.106656	154.7
[M+Na]+	237.088598	169.7
[M-H]-	213.092104	161.0
[M+NH4]+	232.133203	162.8
[M+K]+	253.062538	162.0
[M+H-H2O]+	197.096640	147.0
[M+HCOO]-	259.097581	160.3
[M+CH3COO]-	273.113231	230.2
[M+Na-2H]-	235.074046	156.7
[M]+	214.09883142	151.8
[M]-	214.09992858	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe