CID 47002421

4-(aminomethyl)-n-(2-methoxyethyl)aniline

Structural Information

Molecular Formula

C₁₀H₁₆N₂O

SMILES

COCCNC1=CC=C(C=C1)CN

InChI

InChI=1S/C10H16N2O/c1-13-7-6-12-10-4-2-9(8-11)3-5-10/h2-5,12H,6-8,11H2,1H3

InChIKey

SNWVYAKOXVAWFU-UHFFFAOYSA-N

Compound name

4-(aminomethyl)-N-(2-methoxyethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 180.12627 Da
Monoisotopic Mass: 0.6
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]+	181.13355	139.9
[M+Na]+	203.11549	150.7
[M+NH4]+	198.16009	148.2
[M+K]+	219.08943	144.1
[M-H]-	179.11899	143.1
[M+Na-2H]-	201.10094	146.7
[M]+	180.12572	142.2
[M]-	180.12682	142.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe