CID 71757256

[1-(prop-2-yn-1-yl)cyclobutyl]methanol

Structural Information

Molecular Formula

C₈H₁₂O

SMILES

C#CCC1(CCC1)CO

InChI

InChI=1S/C8H12O/c1-2-4-8(7-9)5-3-6-8/h1,9H,3-7H2

InChIKey

HURPPLVIYXNRIC-UHFFFAOYSA-N

Compound name

(1-prop-2-ynylcyclobutyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 124.08881 Da
Monoisotopic Mass: 1.3
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]+	125.09609	124.9
[M+Na]+	147.07803	131.4
[M+NH4]+	142.12263	127.8
[M+K]+	163.05197	123.3
[M-H]-	123.08153	115.9
[M+Na-2H]-	145.06348	126.5
[M]+	124.08826	121.5
[M]-	124.08936	121.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.