CID 2800143

6-(4-chloro-2-methylphenoxy)pyridin-3-amine

Structural Information

Molecular Formula
C12H11ClN2O
SMILES
CC1=C(C=CC(=C1)Cl)OC2=NC=C(C=C2)N
InChI
InChI=1S/C12H11ClN2O/c1-8-6-9(13)2-4-11(8)16-12-5-3-10(14)7-15-12/h2-7H,14H2,1H3
InChIKey
DVXVRGGVIMNANI-UHFFFAOYSA-N
Compound name
6-(4-chloro-2-methylphenoxy)pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

234.05598 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.06326 149.4
[M+Na]+ 257.04520 159.7
[M-H]- 233.04870 154.9
[M+NH4]+ 252.08980 166.7
[M+K]+ 273.01914 154.4
[M+H-H2O]+ 217.05324 142.3
[M+HCOO]- 279.05418 169.2
[M+CH3COO]- 293.06983 192.0
[M+Na-2H]- 255.03065 155.3
[M]+ 234.05543 151.4
[M]- 234.05653 151.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe