CID 75481382

2-(benzyloxy)-6-chloropyridin-3-amine

Structural Information

Molecular Formula
C12H11ClN2O
SMILES
C1=CC=C(C=C1)COC2=C(C=CC(=N2)Cl)N
InChI
InChI=1S/C12H11ClN2O/c13-11-7-6-10(14)12(15-11)16-8-9-4-2-1-3-5-9/h1-7H,8,14H2
InChIKey
HLRWYEULTQNSSX-UHFFFAOYSA-N
Compound name
6-chloro-2-phenylmethoxypyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.05598 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.063256 149.2
[M+Na]+ 257.045198 158.5
[M-H]- 233.048704 154.2
[M+NH4]+ 252.089803 166.1
[M+K]+ 273.019138 153.1
[M+H-H2O]+ 217.053240 141.8
[M+HCOO]- 279.054181 168.9
[M+CH3COO]- 293.069831 190.9
[M+Na-2H]- 255.030646 155.8
[M]+ 234.05543142 150.7
[M]- 234.05652858 150.7
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

No patent data available for this compound.