CID 10889620

157522-92-4

Structural Information

Molecular Formula

C₁₂H₂₂O₂Si

SMILES

CC(C)(C)[Si](C)(C)OC(C)(C)C#CC=O

InChI

InChI=1S/C12H22O2Si/c1-11(2,3)15(6,7)14-12(4,5)9-8-10-13/h10H,1-7H3

InChIKey

UBEKVUVZTLOFFJ-UHFFFAOYSA-N

Compound name

4-[tert-butyl(dimethyl)silyl]oxy-4-methylpent-2-ynal

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 226.1389 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]+	227.14618	156.7
[M+Na]+	249.12812	165.0
[M-H]-	225.13162	156.6
[M+NH4]+	244.17272	174.1
[M+K]+	265.10206	163.9
[M+H-H2O]+	209.13616	147.0
[M+HCOO]-	271.13710	169.3
[M+CH3COO]-	285.15275	196.5
[M+Na-2H]-	247.11357	161.3
[M]+	226.13835	154.8
[M]-	226.13945	154.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe