CID 108963

60553-32-4

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

CC1(OCCO1)C2=CCN(CC2)C

InChI

InChI=1S/C10H17NO2/c1-10(12-7-8-13-10)9-3-5-11(2)6-4-9/h3H,4-8H2,1-2H3

InChIKey

DXFHTTURPLMPOT-UHFFFAOYSA-N

Compound name

1-methyl-4-(2-methyl-1,3-dioxolan-2-yl)-3,6-dihydro-2H-pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 183.12593 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]+	184.133206	139.4
[M+Na]+	206.115148	145.6
[M-H]-	182.118654	145.4
[M+NH4]+	201.159753	158.9
[M+K]+	222.089088	146.8
[M+H-H2O]+	166.123190	133.4
[M+HCOO]-	228.124131	157.4
[M+CH3COO]-	242.139781	178.8
[M+Na-2H]-	204.100596	145.1
[M]+	183.12538142	137.4
[M]-	183.12647858	137.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.