CID 20352328

4-(trimethylsilyl)but-3-ynoic acid

Structural Information

Molecular Formula

C₇H₁₂O₂Si

SMILES

C[Si](C)(C)C#CCC(=O)O

InChI

InChI=1S/C7H12O2Si/c1-10(2,3)6-4-5-7(8)9/h5H2,1-3H3,(H,8,9)

InChIKey

HUTYLAQQTJJJTA-UHFFFAOYSA-N

Compound name

4-trimethylsilylbut-3-ynoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 156.06065 Da
Monoisotopic Mass: None
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]+	157.06793	134.5
[M+Na]+	179.04987	143.5
[M-H]-	155.05337	133.3
[M+NH4]+	174.09447	153.5
[M+K]+	195.02381	142.0
[M+H-H2O]+	139.05791	124.7
[M+HCOO]-	201.05885	149.2
[M+CH3COO]-	215.07450	181.0
[M+Na-2H]-	177.03532	138.6
[M]+	156.06010	129.7
[M]-	156.06120	129.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.