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: 20
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]+	170.19032	142.0
[M+Na]+	192.17226	151.7
[M+NH4]+	187.21686	151.1
[M+K]+	208.14620	144.5
[M-H]-	168.17576	145.0
[M+Na-2H]-	190.15771	146.6
[M]+	169.18249	144.0
[M]-	169.18359	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe