CID 6437422

61565-24-0

Structural Information

Molecular Formula

C₁₃H₂₂O

SMILES

CCCCCC#CC/C=C/CCCO

InChI

InChI=1S/C13H22O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h9-10,14H,2-5,8,11-13H2,1H3/b10-9+

InChIKey

LDQDYJTYBDXDFI-MDZDMXLPSA-N

Compound name

(E)-tridec-4-en-7-yn-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 194.16707 Da
Monoisotopic Mass: 4.0
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]+	195.17435	146.2
[M+Na]+	217.15629	153.6
[M-H]-	193.15979	144.0
[M+NH4]+	212.20089	163.5
[M+K]+	233.13023	149.5
[M+H-H2O]+	177.16433	135.4
[M+HCOO]-	239.16527	161.7
[M+CH3COO]-	253.18092	191.1
[M+Na-2H]-	215.14174	149.1
[M]+	194.16652	142.9
[M]-	194.16762	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe