CID 200663

Cyclohexanemethylamine, n-methyl-n-2-propynyl-

Structural Information

Molecular Formula

C₁₁H₁₉N

SMILES

CN(CC#C)CC1CCCCC1

InChI

InChI=1S/C11H19N/c1-3-9-12(2)10-11-7-5-4-6-8-11/h1,11H,4-10H2,2H3

InChIKey

DJTQJIUJNMYMTO-UHFFFAOYSA-N

Compound name

N-(cyclohexylmethyl)-N-methylprop-2-yn-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 165.15175 Da
Monoisotopic Mass: 2.7
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]+	166.159026	138.4
[M+Na]+	188.140968	144.5
[M-H]-	164.144474	140.7
[M+NH4]+	183.185573	156.8
[M+K]+	204.114908	141.6
[M+H-H2O]+	148.149010	126.4
[M+HCOO]-	210.149951	154.1
[M+CH3COO]-	224.165601	193.0
[M+Na-2H]-	186.126416	141.6
[M]+	165.15120142	129.7
[M]-	165.15229858	129.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe