CID 106415

Silicic acid, 2-ethylbutyl ester

Structural Information

Molecular Formula

C₆H₁₆O₄Si

SMILES

CCC(CC)CO[Si](O)(O)O

InChI

InChI=1S/C6H16O4Si/c1-3-6(4-2)5-10-11(7,8)9/h6-9H,3-5H2,1-2H3

InChIKey

GRVOIMCYNZWCHU-UHFFFAOYSA-N

Compound name

2-ethylbutoxy(trihydroxy)silane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 23
Patents: 180.08179 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]+	181.089066	139.3
[M+Na]+	203.071008	144.8
[M-H]-	179.074514	135.2
[M+NH4]+	198.115613	157.9
[M+K]+	219.044948	144.3
[M+H-H2O]+	163.079050	135.2
[M+HCOO]-	225.079991	156.5
[M+CH3COO]-	239.095641	171.7
[M+Na-2H]-	201.056456	143.5
[M]+	180.08124142	139.8
[M]-	180.08233858	139.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe