CID 15940858

(5s)-dec-1-yn-5-ol

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CCCCC[C@@H](CCC#C)O

InChI

InChI=1S/C10H18O/c1-3-5-7-9-10(11)8-6-4-2/h2,10-11H,3,5-9H2,1H3/t10-/m1/s1

InChIKey

WBYQQEXMUPBIHG-SNVBAGLBSA-N

Compound name

(5S)-dec-1-yn-5-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 154.13577 Da
Monoisotopic Mass: 2.9
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]+	155.143046	135.2
[M+Na]+	177.124988	142.9
[M-H]-	153.128494	133.4
[M+NH4]+	172.169593	153.7
[M+K]+	193.098928	140.5
[M+H-H2O]+	137.133030	124.8
[M+HCOO]-	199.133971	150.4
[M+CH3COO]-	213.149621	186.3
[M+Na-2H]-	175.110436	138.3
[M]+	154.13522142	131.1
[M]-	154.13631858	131.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe