CID 12760547

N-methyl-n-(prop-2-yn-1-yl)cyclohexanamine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₇N

SMILES

CN(CC#C)C1CCCCC1

InChI

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

InChIKey

LVRZIHLQGYPAIG-UHFFFAOYSA-N

Compound name

N-methyl-N-prop-2-ynylcyclohexanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 151.1361 Da
Monoisotopic Mass: 2.2
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	134.4
[M+Na]+	174.12532	140.9
[M-H]-	150.12882	137.0
[M+NH4]+	169.16992	153.3
[M+K]+	190.09926	138.2
[M+H-H2O]+	134.13336	122.6
[M+HCOO]-	196.13430	150.4
[M+CH3COO]-	210.14995	190.3
[M+Na-2H]-	172.11077	138.1
[M]+	151.13555	125.4
[M]-	151.13665	125.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe