CID 123696450

Schembl467904

Structural Information

Molecular Formula

C₁₂H₂₇NO₂Si

SMILES

CCOC(OCC)[SiH2]CNC1CCCCC1

InChI

InChI=1S/C12H27NO2Si/c1-3-14-12(15-4-2)16-10-13-11-8-6-5-7-9-11/h11-13H,3-10,16H2,1-2H3

InChIKey

FUHBSOUWXAIQLE-UHFFFAOYSA-N

Compound name

N-(diethoxymethylsilylmethyl)cyclohexanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 976
Patents: 245.1811 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]+	246.188376	160.2
[M+Na]+	268.170318	161.4
[M-H]-	244.173824	161.5
[M+NH4]+	263.214923	177.3
[M+K]+	284.144258	160.6
[M+H-H2O]+	228.178360	152.9
[M+HCOO]-	290.179301	179.3
[M+CH3COO]-	304.194951	194.4
[M+Na-2H]-	266.155766	162.0
[M]+	245.18055142	158.6
[M]-	245.18164858	158.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe