CID 43184918

(4-butylcyclohexyl)methanamine hydrochloride

Structural Information

Molecular Formula

C₁₁H₂₃N

SMILES

CCCCC1CCC(CC1)CN

InChI

InChI=1S/C11H23N/c1-2-3-4-10-5-7-11(9-12)8-6-10/h10-11H,2-9,12H2,1H3

InChIKey

NIJLYVTWQJRRDE-UHFFFAOYSA-N

Compound name

(4-butylcyclohexyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 169.18304 Da
Monoisotopic Mass: 3.5
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]+	170.190316	142.9
[M+Na]+	192.172258	146.4
[M-H]-	168.175764	144.7
[M+NH4]+	187.216863	162.8
[M+K]+	208.146198	144.3
[M+H-H2O]+	152.180300	136.9
[M+HCOO]-	214.181241	162.7
[M+CH3COO]-	228.196891	183.8
[M+Na-2H]-	190.157706	145.5
[M]+	169.18249142	137.7
[M]-	169.18358858	137.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe