CID 546912

4-[2-(dimethylamino)ethoxy]benzonitrile

Structural Information

Molecular Formula
C11H14N2O
SMILES
CN(C)CCOC1=CC=C(C=C1)C#N
InChI
InChI=1S/C11H14N2O/c1-13(2)7-8-14-11-5-3-10(9-12)4-6-11/h3-6H,7-8H2,1-2H3
InChIKey
DTYDLVIYHGGCOG-UHFFFAOYSA-N
Compound name
4-[2-(dimethylamino)ethoxy]benzonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

46
Patents

190.11061 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.117886 142.4
[M+Na]+ 213.099828 151.2
[M-H]- 189.103334 146.6
[M+NH4]+ 208.144433 160.4
[M+K]+ 229.073768 149.5
[M+H-H2O]+ 173.107870 129.3
[M+HCOO]- 235.108811 164.1
[M+CH3COO]- 249.124461 201.5
[M+Na-2H]- 211.085276 147.8
[M]+ 190.11006142 139.9
[M]- 190.11115858 139.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe