CID 17750131

3-hydroxy-1,2,3,6-tetrahydropyridine, n-boc protected

Structural Information

Molecular Formula

C₁₀H₁₇NO₃

SMILES

CC(C)(C)OC(=O)N1CC=CC(C1)O

InChI

InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-6-4-5-8(12)7-11/h4-5,8,12H,6-7H2,1-3H3

InChIKey

NICJOYHYEDFTIX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 149
Patents: 199.12085 Da
Monoisotopic Mass: 0.7
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]+	200.12813	145.3
[M+Na]+	222.11007	151.4
[M-H]-	198.11357	146.0
[M+NH4]+	217.15467	162.9
[M+K]+	238.08401	150.7
[M+H-H2O]+	182.11811	139.6
[M+HCOO]-	244.11905	162.3
[M+CH3COO]-	258.13470	180.6
[M+Na-2H]-	220.09552	149.5
[M]+	199.12030	144.1
[M]-	199.12140	144.1

Literature stripe

literature stripe

Patent stripe

patents stripe