CID 42951

Brn 0473855

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

CN1CCC=C(C1)C(=O)OCC=C

InChI

InChI=1S/C10H15NO2/c1-3-7-13-10(12)9-5-4-6-11(2)8-9/h3,5H,1,4,6-8H2,2H3

InChIKey

WIJFGCTZPDNGPD-UHFFFAOYSA-N

Compound name

prop-2-enyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 181.11028 Da
Monoisotopic Mass: 1.0
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]+	182.11756	140.1
[M+Na]+	204.09950	146.3
[M-H]-	180.10300	141.8
[M+NH4]+	199.14410	158.7
[M+K]+	220.07344	144.9
[M+H-H2O]+	164.10754	133.6
[M+HCOO]-	226.10848	160.0
[M+CH3COO]-	240.12413	181.3
[M+Na-2H]-	202.08495	143.9
[M]+	181.10973	139.2
[M]-	181.11083	139.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe