CID 109422

68480-23-9

Structural Information

Molecular Formula

C₁₂H₁₆O₃

SMILES

CCC#CCC1(CCCC1=O)C(=O)OC

InChI

InChI=1S/C12H16O3/c1-3-4-5-8-12(11(14)15-2)9-6-7-10(12)13/h3,6-9H2,1-2H3

InChIKey

HYEFLBYVQZARSG-UHFFFAOYSA-N

Compound name

methyl 2-oxo-1-pent-2-ynylcyclopentane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1
Patents: 208.10994 Da
Monoisotopic Mass: 1.9
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]+	209.11722	145.1
[M+Na]+	231.09916	153.9
[M+NH4]+	226.14376	149.8
[M+K]+	247.07310	145.7
[M-H]-	207.10266	136.9
[M+Na-2H]-	229.08461	146.3
[M]+	208.10939	143.1
[M]-	208.11049	143.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe