CID 6365178

(z)-2-decene-4,6,8-triyn-1-ol

Structural Information

Molecular Formula

C₁₀H₈O

SMILES

CC#CC#CC#C/C=C/CO

InChI

InChI=1S/C10H8O/c1-2-3-4-5-6-7-8-9-10-11/h8-9,11H,10H2,1H3/b9-8+

InChIKey

JTVVPVMSFPTJLN-CMDGGOBGSA-N

Compound name

(E)-dec-2-en-4,6,8-triyn-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 144.05751 Da
Monoisotopic Mass: 1.6
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]+	145.064786	158.5
[M+Na]+	167.046728	166.7
[M-H]-	143.050234	161.0
[M+NH4]+	162.091333	167.1
[M+K]+	183.020668	163.1
[M+H-H2O]+	127.054770	147.4
[M+HCOO]-	189.055711	161.8
[M+CH3COO]-	203.071361	224.2
[M+Na-2H]-	165.032176	157.6
[M]+	144.05696142	150.7
[M]-	144.05805858	150.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.