CID 137965673

2168709-72-4

Structural Information

Molecular Formula

C₁₂H₂₂N₂O₂

SMILES

CC(C)(C)OC(=O)N1CCCC(=C1)CNC

InChI

InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-7-5-6-10(9-14)8-13-4/h9,13H,5-8H2,1-4H3

InChIKey

KFPODGQUXLWHFY-UHFFFAOYSA-N

Compound name

tert-butyl 5-(methylaminomethyl)-3,4-dihydro-2H-pyridine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 226.16812 Da
Monoisotopic Mass: 0.9
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]+	227.175396	155.2
[M+Na]+	249.157338	160.0
[M-H]-	225.160844	156.8
[M+NH4]+	244.201943	172.0
[M+K]+	265.131278	159.0
[M+H-H2O]+	209.165380	148.5
[M+HCOO]-	271.166321	173.7
[M+CH3COO]-	285.181971	192.1
[M+Na-2H]-	247.142786	159.0
[M]+	226.16757142	154.3
[M]-	226.16866858	154.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe