CID 19890818

5-chloro-6-(propan-2-yloxy)pyridin-3-amine

Structural Information

Molecular Formula
C8H11ClN2O
SMILES
CC(C)OC1=C(C=C(C=N1)N)Cl
InChI
InChI=1S/C8H11ClN2O/c1-5(2)12-8-7(9)3-6(10)4-11-8/h3-5H,10H2,1-2H3
InChIKey
CDECSSNEHBQLGS-UHFFFAOYSA-N
Compound name
5-chloro-6-propan-2-yloxypyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

186.05598 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.063256 137.3
[M+Na]+ 209.045198 146.6
[M-H]- 185.048704 139.5
[M+NH4]+ 204.089803 156.6
[M+K]+ 225.019138 143.5
[M+H-H2O]+ 169.053240 131.7
[M+HCOO]- 231.054181 155.9
[M+CH3COO]- 245.069831 184.1
[M+Na-2H]- 207.030646 142.2
[M]+ 186.05543142 139.1
[M]- 186.05652858 139.1
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