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: 188
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]+	198.148866	146.0
[M+Na]+	220.130808	152.2
[M-H]-	196.134314	148.0
[M+NH4]+	215.175413	164.5
[M+K]+	236.104748	151.6
[M+H-H2O]+	180.138850	140.1
[M+HCOO]-	242.139791	163.9
[M+CH3COO]-	256.155441	184.2
[M+Na-2H]-	218.116256	150.1
[M]+	197.14104142	145.6
[M]-	197.14213858	145.6

Literature stripe

literature stripe

Patent stripe

patents stripe