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: 3
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]+	152.143376	131.3
[M+Na]+	174.125318	139.0
[M-H]-	150.128824	131.4
[M+NH4]+	169.169923	149.0
[M+K]+	190.099258	135.6
[M+H-H2O]+	134.133360	119.2
[M+HCOO]-	196.134301	144.8
[M+CH3COO]-	210.149951	186.2
[M+Na-2H]-	172.110766	135.1
[M]+	151.13555142	122.7
[M]-	151.13664858	122.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe