CID 85577433

(prop-2-yn-1-yloxy)cyclopentane

Structural Information

Molecular Formula

C₈H₁₂O

SMILES

C#CCOC1CCCC1

InChI

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

InChIKey

JAVNRYFPBGCMOC-UHFFFAOYSA-N

Compound name

prop-2-ynoxycyclopentane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 124.08881 Da
Monoisotopic Mass: 1.5
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]+	125.096086	126.0
[M+Na]+	147.078028	135.0
[M-H]-	123.081534	127.9
[M+NH4]+	142.122633	147.4
[M+K]+	163.051968	131.9
[M+H-H2O]+	107.086070	114.9
[M+HCOO]-	169.087011	143.5
[M+CH3COO]-	183.102661	179.1
[M+Na-2H]-	145.063476	130.1
[M]+	124.08826142	119.3
[M]-	124.08935858	119.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe