CID 57474247

2c-cn hcl

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₂

SMILES

COC1=CC(=C(C=C1CCN)OC)C#N

InChI

InChI=1S/C11H14N2O2/c1-14-10-6-9(7-13)11(15-2)5-8(10)3-4-12/h5-6H,3-4,12H2,1-2H3

InChIKey

OGWCKYKYGQORLF-UHFFFAOYSA-N

Compound name

4-(2-aminoethyl)-2,5-dimethoxybenzonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 31
Patents: 206.10553 Da
Monoisotopic Mass: 1.2
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]+	207.11281	145.4
[M+Na]+	229.09475	156.7
[M+NH4]+	224.13935	149.6
[M+K]+	245.06869	147.7
[M-H]-	205.09825	140.3
[M+Na-2H]-	227.08020	148.5
[M]+	206.10498	144.6
[M]-	206.10608	144.6

Literature stripe

literature stripe

Patent stripe

patents stripe