CID 11469123

56475-87-7

Structural Information

Molecular Formula

C₇H₁₁NO₂

SMILES

COC(=O)N1CCCC=C1

InChI

InChI=1S/C7H11NO2/c1-10-7(9)8-5-3-2-4-6-8/h3,5H,2,4,6H2,1H3

InChIKey

UEYXEWCMUHQOAS-UHFFFAOYSA-N

Compound name

methyl 3,4-dihydro-2H-pyridine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 141.07898 Da
Monoisotopic Mass: 0.9
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]+	142.08626	129.3
[M+Na]+	164.06820	140.4
[M+NH4]+	159.11280	137.4
[M+K]+	180.04214	135.1
[M-H]-	140.07170	130.1
[M+Na-2H]-	162.05365	134.9
[M]+	141.07843	130.8
[M]-	141.07953	130.8

Literature stripe

literature stripe

Patent stripe

patents stripe