CID 17825273

Cyclohexaneethanamine,n,a-dimethyl-, hydrochloride (1:1)

Structural Information

Molecular Formula

C₁₀H₂₁N

SMILES

CC(C)N(C)C1CCCCC1

InChI

InChI=1S/C10H21N/c1-9(2)11(3)10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3

InChIKey

BVTMNDSCUKZTCE-UHFFFAOYSA-N

Compound name

N-methyl-N-propan-2-ylcyclohexanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 259
Patents: 155.1674 Da
Monoisotopic Mass: 2.9
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]+	156.174676	138.5
[M+Na]+	178.156618	141.4
[M-H]-	154.160124	142.3
[M+NH4]+	173.201223	159.6
[M+K]+	194.130558	141.8
[M+H-H2O]+	138.164660	132.4
[M+HCOO]-	200.165601	158.8
[M+CH3COO]-	214.181251	184.8
[M+Na-2H]-	176.142066	141.4
[M]+	155.16685142	134.3
[M]-	155.16794858	134.3

Literature stripe

literature stripe

Patent stripe

patents stripe