CID 1084995

262368-64-9

Structural Information

Molecular Formula

C₁₃H₂₀N₂

SMILES

CC1CCN(CC1)CC2=CC=C(C=C2)N

InChI

InChI=1S/C13H20N2/c1-11-6-8-15(9-7-11)10-12-2-4-13(14)5-3-12/h2-5,11H,6-10,14H2,1H3

InChIKey

UJZKENORBCZXBM-UHFFFAOYSA-N

Compound name

4-[(4-methylpiperidin-1-yl)methyl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 87
Patents: 204.16264 Da
Monoisotopic Mass: 2.4
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]+	205.16992	148.6
[M+Na]+	227.15186	153.7
[M-H]-	203.15536	152.7
[M+NH4]+	222.19646	165.7
[M+K]+	243.12580	150.0
[M+H-H2O]+	187.15990	140.6
[M+HCOO]-	249.16084	168.1
[M+CH3COO]-	263.17649	189.1
[M+Na-2H]-	225.13731	152.2
[M]+	204.16209	142.6
[M]-	204.16319	142.6

Literature stripe

literature stripe

Patent stripe

patents stripe