CID 560731

42201-71-8

Structural Information

Molecular Formula

C₇H₁₂O₂Si

SMILES

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

InChI

InChI=1S/C7H12O2Si/c1-9-7(8)5-6-10(2,3)4/h1-4H3

InChIKey

XXGHAMBKHIDZDC-UHFFFAOYSA-N

Compound name

methyl 3-trimethylsilylprop-2-ynoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 22
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	132.8
[M+Na]+	179.04987	142.3
[M-H]-	155.05337	132.9
[M+NH4]+	174.09447	152.6
[M+K]+	195.02381	141.6
[M+H-H2O]+	139.05791	122.9
[M+HCOO]-	201.05885	148.9
[M+CH3COO]-	215.07450	182.8
[M+Na-2H]-	177.03532	137.5
[M]+	156.06010	129.7
[M]-	156.06120	129.7

Literature stripe

literature stripe

Patent stripe

patents stripe