CID 87074

1-ethynylcyclopentanol

Structural Information

Molecular Formula

C₇H₁₀O

SMILES

C#CC1(CCCC1)O

InChI

InChI=1S/C7H10O/c1-2-7(8)5-3-4-6-7/h1,8H,3-6H2

InChIKey

LQMDOONLLAJAPZ-UHFFFAOYSA-N

Compound name

1-ethynylcyclopentan-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1471
Patents: 110.073166 Da
Monoisotopic Mass: 1.2
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]+	111.08044	124.2
[M+Na]+	133.06238	134.3
[M-H]-	109.06589	125.6
[M+NH4]+	128.10699	147.4
[M+K]+	149.03632	130.1
[M+H-H2O]+	93.070426	114.5
[M+HCOO]-	155.07137	140.7
[M+CH3COO]-	169.08702	173.5
[M+Na-2H]-	131.04783	129.3
[M]+	110.07262	115.8
[M]-	110.07371	115.8

Literature stripe

literature stripe

Patent stripe

patents stripe