CID 11953520

Schembl22236219

Structural Information

Molecular Formula

C₁₀H₂₂N₂O₂

SMILES

CCOC1(CCN(CC1N)C)OCC

InChI

InChI=1S/C10H22N2O2/c1-4-13-10(14-5-2)6-7-12(3)8-9(10)11/h9H,4-8,11H2,1-3H3

InChIKey

YNCRMJAIJFENAI-UHFFFAOYSA-N

Compound name

4,4-diethoxy-1-methylpiperidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 202.16812 Da
Monoisotopic Mass: -0.1
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]+	203.17540	147.2
[M+Na]+	225.15734	153.0
[M-H]-	201.16084	148.5
[M+NH4]+	220.20194	166.8
[M+K]+	241.13128	152.4
[M+H-H2O]+	185.16538	141.2
[M+HCOO]-	247.16632	166.7
[M+CH3COO]-	261.18197	188.2
[M+Na-2H]-	223.14279	151.1
[M]+	202.16757	146.0
[M]-	202.16867	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe