CID 141404063

Schembl28032917

Structural Information

Molecular Formula

C₁₁H₁₉NO₃Si

SMILES

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

InChI

InChI=1S/C11H19NO3Si/c1-14-16(13,15-2)10-6-9-12-11-7-4-3-5-8-11/h3-5,7-8,12-13H,6,9-10H2,1-2H3

InChIKey

AIVWPINVRCZBQW-UHFFFAOYSA-N

Compound name

N-[3-[hydroxy(dimethoxy)silyl]propyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 241.11342 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]+	242.120696	153.5
[M+Na]+	264.102638	158.5
[M-H]-	240.106144	155.1
[M+NH4]+	259.147243	170.5
[M+K]+	280.076578	156.9
[M+H-H2O]+	224.110680	147.0
[M+HCOO]-	286.111621	175.6
[M+CH3COO]-	300.127271	189.3
[M+Na-2H]-	262.088086	160.5
[M]+	241.11287142	155.7
[M]-	241.11396858	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe