CID 6486600

84227-68-9

Structural Information

Molecular Formula

C₁₂H₂₀N₂

SMILES

CCN(CC)CC1=CC=CC=C1CN

InChI

InChI=1S/C12H20N2/c1-3-14(4-2)10-12-8-6-5-7-11(12)9-13/h5-8H,3-4,9-10,13H2,1-2H3

InChIKey

CVVJKBIPNSXFSQ-UHFFFAOYSA-N

Compound name

N-[[2-(aminomethyl)phenyl]methyl]-N-ethylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 192.16264 Da
Monoisotopic Mass: 1.3
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]+	193.16992	146.1
[M+Na]+	215.15186	157.2
[M+NH4]+	210.19646	154.9
[M+K]+	231.12580	150.0
[M-H]-	191.15536	150.1
[M+Na-2H]-	213.13731	153.0
[M]+	192.16209	148.7
[M]-	192.16319	148.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe