CID 11745632

4-((tert-butyldimethylsilyl)oxy)but-2-ynal

Structural Information

Molecular Formula

C₁₀H₁₈O₂Si

SMILES

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

InChI

InChI=1S/C10H18O2Si/c1-10(2,3)13(4,5)12-9-7-6-8-11/h8H,9H2,1-5H3

InChIKey

OYZMPVYSFZYTTP-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 198.1076 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]+	199.11488	146.9
[M+Na]+	221.09682	155.8
[M-H]-	197.10032	146.8
[M+NH4]+	216.14142	165.3
[M+K]+	237.07076	154.5
[M+H-H2O]+	181.10486	137.0
[M+HCOO]-	243.10580	161.6
[M+CH3COO]-	257.12145	190.6
[M+Na-2H]-	219.08227	151.8
[M]+	198.10705	144.9
[M]-	198.10815	144.9

Literature stripe

literature stripe

Patent stripe

patents stripe