CID 173912648

Schembl22911641

Structural Information

Molecular Formula

C₁₀H₁₇NO₃Si

SMILES

CO[Si](CCCNC1=CC=CC=C1)(O)O

InChI

InChI=1S/C10H17NO3Si/c1-14-15(12,13)9-5-8-11-10-6-3-2-4-7-10/h2-4,6-7,11-13H,5,8-9H2,1H3

InChIKey

TUELHLOSQDUZTO-UHFFFAOYSA-N

Compound name

N-[3-[dihydroxy(methoxy)silyl]propyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 227.09776 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]+	228.105036	149.2
[M+Na]+	250.086978	154.2
[M-H]-	226.090484	149.5
[M+NH4]+	245.131583	166.0
[M+K]+	266.060918	151.9
[M+H-H2O]+	210.095020	143.1
[M+HCOO]-	272.095961	170.1
[M+CH3COO]-	286.111611	183.7
[M+Na-2H]-	248.072426	156.2
[M]+	227.09721142	149.1
[M]-	227.09830858	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe