CID 147583113

(but-3-yn-2-yl)cyclopentane

Structural Information

Molecular Formula

C₉H₁₄

SMILES

CC(C#C)C1CCCC1

InChI

InChI=1S/C9H14/c1-3-8(2)9-6-4-5-7-9/h1,8-9H,4-7H2,2H3

InChIKey

FWUYSZWSQDPOFF-UHFFFAOYSA-N

Compound name

but-3-yn-2-ylcyclopentane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 122.10955 Da
Monoisotopic Mass: 3.3
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]+	123.116826	129.0
[M+Na]+	145.098768	137.4
[M-H]-	121.102274	130.8
[M+NH4]+	140.143373	150.4
[M+K]+	161.072708	133.9
[M+H-H2O]+	105.106810	118.0
[M+HCOO]-	167.107751	145.0
[M+CH3COO]-	181.123401	180.8
[M+Na-2H]-	143.084216	131.4
[M]+	122.10900142	120.7
[M]-	122.11009858	120.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe