CID 22376970

2-cyclohexylpropan-2-amine hydrochloride

Structural Information

Molecular Formula

C₉H₁₉N

SMILES

CC(C)(C1CCCCC1)N

InChI

InChI=1S/C9H19N/c1-9(2,10)8-6-4-3-5-7-8/h8H,3-7,10H2,1-2H3

InChIKey

LBAHQPMPKGDCDV-UHFFFAOYSA-N

Compound name

2-cyclohexylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 256
Patents: 141.15175 Da
Monoisotopic Mass: 2.3
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]+	142.159026	133.7
[M+Na]+	164.140968	137.6
[M-H]-	140.144474	135.9
[M+NH4]+	159.185573	154.7
[M+K]+	180.114908	136.5
[M+H-H2O]+	124.149010	128.6
[M+HCOO]-	186.149951	152.8
[M+CH3COO]-	200.165601	176.9
[M+Na-2H]-	162.126416	138.8
[M]+	141.15120142	127.1
[M]-	141.15229858	127.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe