CID 61750154

2-(prop-2-yn-1-yl)cyclohexan-1-ol

Structural Information

Molecular Formula

C₉H₁₄O

SMILES

C#CCC1CCCCC1O

InChI

InChI=1S/C9H14O/c1-2-5-8-6-3-4-7-9(8)10/h1,8-10H,3-7H2

InChIKey

HSTZTEDWURGETC-UHFFFAOYSA-N

Compound name

2-prop-2-ynylcyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 138.10446 Da
Monoisotopic Mass: 1.8
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]+	139.11174	129.4
[M+Na]+	161.09368	137.6
[M-H]-	137.09718	130.3
[M+NH4]+	156.13828	148.4
[M+K]+	177.06762	133.7
[M+H-H2O]+	121.10172	119.0
[M+HCOO]-	183.10266	143.4
[M+CH3COO]-	197.11831	180.4
[M+Na-2H]-	159.07913	133.2
[M]+	138.10391	119.8
[M]-	138.10501	119.8

Literature stripe

literature stripe

Patent stripe

patents stripe