CID 57370234

5-chloro-6-methoxypyridin-3-amine

Structural Information

Molecular Formula
C6H7ClN2O
SMILES
COC1=C(C=C(C=N1)N)Cl
InChI
InChI=1S/C6H7ClN2O/c1-10-6-5(7)2-4(8)3-9-6/h2-3H,8H2,1H3
InChIKey
XSUGEKNUDFVPPO-UHFFFAOYSA-N
Compound name
5-chloro-6-methoxypyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

158.02469 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.03197 127.9
[M+Na]+ 181.01391 138.3
[M-H]- 157.01741 130.3
[M+NH4]+ 176.05851 148.3
[M+K]+ 196.98785 135.2
[M+H-H2O]+ 141.02195 122.6
[M+HCOO]- 203.02289 148.2
[M+CH3COO]- 217.03854 177.1
[M+Na-2H]- 178.99936 135.1
[M]+ 158.02414 129.5
[M]- 158.02524 129.5
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