CID 143083

5-nonyn-3-ol

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

CCCC#CCC(CC)O

InChI

InChI=1S/C9H16O/c1-3-5-6-7-8-9(10)4-2/h9-10H,3-5,8H2,1-2H3

InChIKey

UWQZATMGBARJPE-UHFFFAOYSA-N

Compound name

non-5-yn-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 140.12012 Da
Monoisotopic Mass: 2.6
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]+	141.12740	131.8
[M+Na]+	163.10934	140.1
[M-H]-	139.11284	130.3
[M+NH4]+	158.15394	151.0
[M+K]+	179.08328	138.0
[M+H-H2O]+	123.11738	121.7
[M+HCOO]-	185.11832	147.4
[M+CH3COO]-	199.13397	182.4
[M+Na-2H]-	161.09479	135.4
[M]+	140.11957	127.3
[M]-	140.12067	127.3

Literature stripe

literature stripe

Patent stripe

patents stripe