CID 22961112

208245-73-2

Structural Information

Molecular Formula

C₁₁H₁₉NO₂

SMILES

CC1=CCN(CC1)C(=O)OC(C)(C)C

InChI

InChI=1S/C11H19NO2/c1-9-5-7-12(8-6-9)10(13)14-11(2,3)4/h5H,6-8H2,1-4H3

InChIKey

UPUZWYFQRARJNC-UHFFFAOYSA-N

Compound name

tert-butyl 4-methyl-3,6-dihydro-2H-pyridine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 154
Patents: 197.14159 Da
Monoisotopic Mass: 1.7
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]+	198.14887	146.2
[M+Na]+	220.13081	156.6
[M+NH4]+	215.17541	153.5
[M+K]+	236.10475	151.9
[M-H]-	196.13431	146.3
[M+Na-2H]-	218.11626	150.5
[M]+	197.14104	147.5
[M]-	197.14214	147.5

Literature stripe

literature stripe

Patent stripe

patents stripe