CID 10329442

2-[(ethylamino)methyl]aniline dihydrochloride

Structural Information

Molecular Formula

C₉H₁₄N₂

SMILES

CCNCC1=CC=CC=C1N

InChI

InChI=1S/C9H14N2/c1-2-11-7-8-5-3-4-6-9(8)10/h3-6,11H,2,7,10H2,1H3

InChIKey

FGODIPLKTXOLLN-UHFFFAOYSA-N

Compound name

2-(ethylaminomethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 38
Patents: 150.11569 Da
Monoisotopic Mass: 1.5
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]+	151.122966	131.8
[M+Na]+	173.104908	138.5
[M-H]-	149.108414	135.1
[M+NH4]+	168.149513	152.5
[M+K]+	189.078848	136.1
[M+H-H2O]+	133.112950	125.8
[M+HCOO]-	195.113891	157.8
[M+CH3COO]-	209.129541	181.5
[M+Na-2H]-	171.090356	138.9
[M]+	150.11514142	129.6
[M]-	150.11623858	129.6

Literature stripe

literature stripe

Patent stripe

patents stripe