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

22
Patents

234.05598 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.063256 149.4
[M+Na]+ 257.045198 159.7
[M-H]- 233.048704 154.9
[M+NH4]+ 252.089803 166.7
[M+K]+ 273.019138 154.4
[M+H-H2O]+ 217.053240 142.3
[M+HCOO]- 279.054181 169.2
[M+CH3COO]- 293.069831 192.0
[M+Na-2H]- 255.030646 155.3
[M]+ 234.05543142 151.4
[M]- 234.05652858 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