CID 55299361

Lithium(1+) 4-methoxy-4-methylpent-2-ynoate

Structural Information

Molecular Formula

C₇H₁₀O₃

SMILES

CC(C)(C#CC(=O)O)OC

InChI

InChI=1S/C7H10O3/c1-7(2,10-3)5-4-6(8)9/h1-3H3,(H,8,9)

InChIKey

DYONNEQVYLLPBL-UHFFFAOYSA-N

Compound name

4-methoxy-4-methylpent-2-ynoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 142.06299 Da
Monoisotopic Mass: 0.7
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]+	143.070266	130.9
[M+Na]+	165.052208	140.2
[M-H]-	141.055714	129.8
[M+NH4]+	160.096813	149.8
[M+K]+	181.026148	139.5
[M+H-H2O]+	125.060250	121.2
[M+HCOO]-	187.061191	146.2
[M+CH3COO]-	201.076841	179.9
[M+Na-2H]-	163.037656	135.7
[M]+	142.06244142	127.0
[M]-	142.06353858	127.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.