CID 10465102

131667-57-7

Structural Information

Molecular Formula

C₁₀H₁₇NO₂

SMILES

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

InChI

InChI=1S/C10H17NO2/c1-10(2,3)13-9(12)11-7-5-4-6-8-11/h5,7H,4,6,8H2,1-3H3

InChIKey

VIBQTJLMJANION-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 173
Patents: 183.12593 Da
Monoisotopic Mass: 1.9
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]+	184.13321	142.2
[M+Na]+	206.11515	152.4
[M+NH4]+	201.15975	149.6
[M+K]+	222.08909	147.7
[M-H]-	182.11865	142.3
[M+Na-2H]-	204.10060	147.0
[M]+	183.12538	143.5
[M]-	183.12648	143.5

Literature stripe

literature stripe

Patent stripe

patents stripe