CID 24740615

4,6-decadiyn-1-ol

Structural Information

Molecular Formula

C₁₀H₁₄O

SMILES

CCCC#CC#CCCCO

InChI

InChI=1S/C10H14O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-3,8-10H2,1H3

InChIKey

HVQWHMMQKIPWDD-UHFFFAOYSA-N

Compound name

deca-4,6-diyn-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 8
Patents: 150.10446 Da
Monoisotopic Mass: 2.4
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]+	151.11174	143.4
[M+Na]+	173.09368	152.7
[M-H]-	149.09718	143.5
[M+NH4]+	168.13828	157.3
[M+K]+	189.06762	149.2
[M+H-H2O]+	133.10172	130.6
[M+HCOO]-	195.10266	152.4
[M+CH3COO]-	209.11831	203.2
[M+Na-2H]-	171.07913	145.5
[M]+	150.10391	136.0
[M]-	150.10501	136.0

Literature stripe

literature stripe

Patent stripe

patents stripe