CID 93648

57365-08-9

Structural Information

Molecular Formula

C₁₄H₂₂N₂

SMILES

CN(CC1=CC=CC=C1N)C2CCCCC2

InChI

InChI=1S/C14H22N2/c1-16(13-8-3-2-4-9-13)11-12-7-5-6-10-14(12)15/h5-7,10,13H,2-4,8-9,11,15H2,1H3

InChIKey

MTVBBLNLYSYKCQ-UHFFFAOYSA-N

Compound name

2-[[cyclohexyl(methyl)amino]methyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 228
Patents: 218.1783 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]+	219.18558	151.9
[M+Na]+	241.16752	154.8
[M-H]-	217.17102	158.3
[M+NH4]+	236.21212	169.7
[M+K]+	257.14146	152.5
[M+H-H2O]+	201.17556	144.0
[M+HCOO]-	263.17650	173.9
[M+CH3COO]-	277.19215	196.7
[M+Na-2H]-	239.15297	155.2
[M]+	218.17775	145.9
[M]-	218.17885	145.9

Literature stripe

literature stripe

Patent stripe

patents stripe