CID 56547

93101-56-5

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

CCOC(=O)C1=C(CCN(C1)C)C

InChI

InChI=1S/C10H17NO2/c1-4-13-10(12)9-7-11(3)6-5-8(9)2/h4-7H2,1-3H3

InChIKey

BEIWNDASCSATED-UHFFFAOYSA-N

Compound name

ethyl 1,4-dimethyl-3,6-dihydro-2H-pyridine-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 183.12593 Da
Monoisotopic Mass: 0.8
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	140.8
[M+Na]+	206.115148	147.7
[M-H]-	182.118654	142.9
[M+NH4]+	201.159753	159.8
[M+K]+	222.089088	146.9
[M+H-H2O]+	166.123190	134.5
[M+HCOO]-	228.124131	160.6
[M+CH3COO]-	242.139781	183.3
[M+Na-2H]-	204.100596	144.0
[M]+	183.12538142	141.0
[M]-	183.12647858	141.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe