CID 23009041

2-[(diethylamino)methyl]cyclohexan-1-amine

Structural Information

Molecular Formula

C₁₁H₂₄N₂

SMILES

CCN(CC)CC1CCCCC1N

InChI

InChI=1S/C11H24N2/c1-3-13(4-2)9-10-7-5-6-8-11(10)12/h10-11H,3-9,12H2,1-2H3

InChIKey

BJHFVTGSIAZFIQ-UHFFFAOYSA-N

Compound name

2-(diethylaminomethyl)cyclohexan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 184.19395 Da
Monoisotopic Mass: 1.8
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]+	185.20123	146.6
[M+Na]+	207.18317	149.4
[M-H]-	183.18667	149.9
[M+NH4]+	202.22777	166.3
[M+K]+	223.15711	148.7
[M+H-H2O]+	167.19121	140.0
[M+HCOO]-	229.19215	168.0
[M+CH3COO]-	243.20780	192.2
[M+Na-2H]-	205.16862	148.7
[M]+	184.19340	142.0
[M]-	184.19450	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe