CID 22594484

203663-26-7

Structural Information

Molecular Formula

C₁₁H₁₉NO₃

SMILES

CC(C)(C)OC(=O)N1CCC(=CC1)CO

InChI

InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-6-4-9(8-13)5-7-12/h4,13H,5-8H2,1-3H3

InChIKey

XTXKANSXTANTFE-UHFFFAOYSA-N

Compound name

tert-butyl 4-(hydroxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 83
Patents: 213.13649 Da
Monoisotopic Mass: 0.5
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]+	214.14377	150.0
[M+Na]+	236.12571	155.6
[M-H]-	212.12921	150.4
[M+NH4]+	231.17031	166.9
[M+K]+	252.09965	154.6
[M+H-H2O]+	196.13375	144.1
[M+HCOO]-	258.13469	166.5
[M+CH3COO]-	272.15034	183.6
[M+Na-2H]-	234.11116	153.6
[M]+	213.13594	149.1
[M]-	213.13704	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe