CID 59511130

2-(cyclooct-2-yn-1-yloxy)acetic acid

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

C1CCC#CC(CC1)OCC(=O)O

InChI

InChI=1S/C10H14O3/c11-10(12)8-13-9-6-4-2-1-3-5-7-9/h9H,1-4,6,8H2,(H,11,12)

InChIKey

QUIAKSQMOGTDQJ-UHFFFAOYSA-N

Compound name

2-cyclooct-2-yn-1-yloxyacetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 141
Patents: 182.0943 Da
Monoisotopic Mass: 1.8
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]+	183.10158	142.0
[M+Na]+	205.08352	144.8
[M+NH4]+	200.12812	144.5
[M+K]+	221.05746	144.8
[M-H]-	181.08702	142.2
[M+Na-2H]-	203.06897	144.7
[M]+	182.09375	142.3
[M]-	182.09485	142.3

Literature stripe

literature stripe

Patent stripe

patents stripe