CID 12650971

Dec-4-yn-1-ol

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CCCCCC#CCCCO

InChI

InChI=1S/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-5,8-10H2,1H3

InChIKey

PBYDSMYJBSYNTG-UHFFFAOYSA-N

Compound name

dec-4-yn-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 20
Patents: 154.13577 Da
Monoisotopic Mass: 3.0
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]+	155.14305	134.4
[M+Na]+	177.12499	142.5
[M-H]-	153.12849	132.6
[M+NH4]+	172.16959	153.1
[M+K]+	193.09893	139.8
[M+H-H2O]+	137.13303	124.0
[M+HCOO]-	199.13397	150.6
[M+CH3COO]-	213.14962	184.4
[M+Na-2H]-	175.11044	138.8
[M]+	154.13522	130.8
[M]-	154.13632	130.8

Literature stripe

literature stripe

Patent stripe

patents stripe