CID 3020824

85586-60-3

Structural Information

Molecular Formula

C₁₄H₂₂N₂

SMILES

CC1=C(C=CC=C1N)CC2CCC(CC2)N

InChI

InChI=1S/C14H22N2/c1-10-12(3-2-4-14(10)16)9-11-5-7-13(15)8-6-11/h2-4,11,13H,5-9,15-16H2,1H3

InChIKey

MBERKBLRAGDOFR-UHFFFAOYSA-N

Compound name

3-[(4-aminocyclohexyl)methyl]-2-methylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 218.1783 Da
Monoisotopic Mass: 2.5
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]+	219.185576	152.5
[M+Na]+	241.167518	157.3
[M-H]-	217.171024	157.7
[M+NH4]+	236.212123	170.1
[M+K]+	257.141458	153.2
[M+H-H2O]+	201.175560	145.3
[M+HCOO]-	263.176501	173.4
[M+CH3COO]-	277.192151	195.1
[M+Na-2H]-	239.152966	154.1
[M]+	218.17775142	145.1
[M]-	218.17884858	145.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe