CID 78920665

Methyl 1-(prop-2-yn-1-yl)piperidine-3-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₅NO₂

SMILES

COC(=O)C1CCCN(C1)CC#C

InChI

InChI=1S/C10H15NO2/c1-3-6-11-7-4-5-9(8-11)10(12)13-2/h1,9H,4-8H2,2H3

InChIKey

PNCOYPCTFNKJQQ-UHFFFAOYSA-N

Compound name

methyl 1-prop-2-ynylpiperidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 181.11028 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]+	182.117556	137.3
[M+Na]+	204.099498	145.0
[M-H]-	180.103004	137.4
[M+NH4]+	199.144103	153.7
[M+K]+	220.073438	142.3
[M+H-H2O]+	164.107540	124.9
[M+HCOO]-	226.108481	150.4
[M+CH3COO]-	240.124131	189.1
[M+Na-2H]-	202.084946	139.8
[M]+	181.10973142	129.9
[M]-	181.11082858	129.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.