CID 10998500

5-[(tert-butyldimethylsilyl)oxy]pentan-2-ol

Structural Information

Molecular Formula

C₁₁H₂₆O₂Si

SMILES

CC(CCCO[Si](C)(C)C(C)(C)C)O

InChI

InChI=1S/C11H26O2Si/c1-10(12)8-7-9-13-14(5,6)11(2,3)4/h10,12H,7-9H2,1-6H3

InChIKey

GAAOKOSJNUIMRV-UHFFFAOYSA-N

Compound name

5-[tert-butyl(dimethyl)silyl]oxypentan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 218.17021 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]+	219.177486	154.1
[M+Na]+	241.159428	159.2
[M-H]-	217.162934	152.6
[M+NH4]+	236.204033	173.1
[M+K]+	257.133368	158.8
[M+H-H2O]+	201.167470	150.1
[M+HCOO]-	263.168411	170.8
[M+CH3COO]-	277.184061	187.7
[M+Na-2H]-	239.144876	157.8
[M]+	218.16966142	157.0
[M]-	218.17075858	157.0

Literature stripe

literature stripe

Patent stripe

patents stripe