CID 155971007

(1-methoxyprop-2-yn-1-yl)cyclopentane

Structural Information

Molecular Formula

C₉H₁₄O

SMILES

COC(C#C)C1CCCC1

InChI

InChI=1S/C9H14O/c1-3-9(10-2)8-6-4-5-7-8/h1,8-9H,4-7H2,2H3

InChIKey

RVJQJNAKJLEZQQ-UHFFFAOYSA-N

Compound name

1-methoxyprop-2-ynylcyclopentane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 138.10446 Da
Monoisotopic Mass: 2.1
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]+	139.111736	131.5
[M+Na]+	161.093678	139.8
[M-H]-	137.097184	133.3
[M+NH4]+	156.138283	152.3
[M+K]+	177.067618	136.8
[M+H-H2O]+	121.101720	120.3
[M+HCOO]-	183.102661	147.7
[M+CH3COO]-	197.118311	182.5
[M+Na-2H]-	159.079126	133.9
[M]+	138.10391142	124.4
[M]-	138.10500858	124.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.