CID 5368942

(2z)-2-nonen-4-yn-1-ol

Structural Information

Molecular Formula

C₉H₁₄O

SMILES

CCCCC#C/C=C\CO

InChI

InChI=1S/C9H14O/c1-2-3-4-5-6-7-8-9-10/h7-8,10H,2-4,9H2,1H3/b8-7-

InChIKey

MLWGZQLWABSEHV-FPLPWBNLSA-N

Compound name

(Z)-non-2-en-4-yn-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 138.10446 Da
Monoisotopic Mass: 2.3
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]+	139.111736	130.6
[M+Na]+	161.093678	139.4
[M-H]-	137.097184	129.0
[M+NH4]+	156.138283	149.8
[M+K]+	177.067618	136.3
[M+H-H2O]+	121.101720	120.4
[M+HCOO]-	183.102661	147.2
[M+CH3COO]-	197.118311	180.2
[M+Na-2H]-	159.079126	135.3
[M]+	138.10391142	125.9
[M]-	138.10500858	125.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.