CID 18449144

N-[2-(2-amino-4-chlorophenoxy)ethyl]-n,n-dimethylamine

Structural Information

Molecular Formula
C10H15ClN2O
SMILES
CN(C)CCOC1=C(C=C(C=C1)Cl)N
InChI
InChI=1S/C10H15ClN2O/c1-13(2)5-6-14-10-4-3-8(11)7-9(10)12/h3-4,7H,5-6,12H2,1-2H3
InChIKey
OQTYBJCISJYPPM-UHFFFAOYSA-N
Compound name
5-chloro-2-[2-(dimethylamino)ethoxy]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

214.0873 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.09458 146.9
[M+Na]+ 237.07652 155.0
[M-H]- 213.08002 151.6
[M+NH4]+ 232.12112 166.8
[M+K]+ 253.05046 152.3
[M+H-H2O]+ 197.08456 141.3
[M+HCOO]- 259.08550 168.8
[M+CH3COO]- 273.10115 195.0
[M+Na-2H]- 235.06197 151.3
[M]+ 214.08675 150.2
[M]- 214.08785 150.2
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