CID 123437

Non-3-yn-1-ol

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

CCCCCC#CCCO

InChI

InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h10H,2-5,8-9H2,1H3

InChIKey

TZZVRLFUTNYDEG-UHFFFAOYSA-N

Compound name

non-3-yn-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 172
Patents: 140.12012 Da
Monoisotopic Mass: 2.7
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]+	141.127396	130.5
[M+Na]+	163.109338	138.9
[M-H]-	139.112844	128.8
[M+NH4]+	158.153943	149.7
[M+K]+	179.083278	136.4
[M+H-H2O]+	123.117380	120.3
[M+HCOO]-	185.118321	147.0
[M+CH3COO]-	199.133971	181.7
[M+Na-2H]-	161.094786	135.3
[M]+	140.11957142	126.5
[M]-	140.12066858	126.5

Literature stripe

literature stripe

Patent stripe

patents stripe