CID 61688037

1-(but-3-yn-1-yl)-4-methylpiperidine

Structural Information

Molecular Formula

C₁₀H₁₇N

SMILES

CC1CCN(CC1)CCC#C

InChI

InChI=1S/C10H17N/c1-3-4-7-11-8-5-10(2)6-9-11/h1,10H,4-9H2,2H3

InChIKey

SFGZPATYHDMDNZ-UHFFFAOYSA-N

Compound name

1-but-3-ynyl-4-methylpiperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 151.1361 Da
Monoisotopic Mass: 2.1
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]+	152.14338	136.5
[M+Na]+	174.12532	147.6
[M+NH4]+	169.16992	141.8
[M+K]+	190.09926	137.7
[M-H]-	150.12882	130.4
[M+Na-2H]-	172.11077	138.8
[M]+	151.13555	135.5
[M]-	151.13665	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe