CID 22421013

(4-ethynylcyclohexyl)methanol

Structural Information

Molecular Formula

C₉H₁₄O

SMILES

C#CC1CCC(CC1)CO

InChI

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

InChIKey

LHNVWCNLKADYSZ-UHFFFAOYSA-N

Compound name

(4-ethynylcyclohexyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 138.10446 Da
Monoisotopic Mass: 1.7
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]+	139.11174	131.3
[M+Na]+	161.09368	141.9
[M+NH4]+	156.13828	136.6
[M+K]+	177.06762	132.8
[M-H]-	137.09718	125.1
[M+Na-2H]-	159.07913	133.3
[M]+	138.10391	130.1
[M]-	138.10501	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe