CID 45104865

6-(4-methoxyoxan-4-yl)pyridin-3-amine dihydrochloride

Structural Information

Molecular Formula
C11H16N2O2
SMILES
COC1(CCOCC1)C2=NC=C(C=C2)N
InChI
InChI=1S/C11H16N2O2/c1-14-11(4-6-15-7-5-11)10-3-2-9(12)8-13-10/h2-3,8H,4-7,12H2,1H3
InChIKey
IHJYRBOCTMKFKP-UHFFFAOYSA-N
Compound name
6-(4-methoxyoxan-4-yl)pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.12119 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.12847 146.2
[M+Na]+ 231.11041 152.1
[M-H]- 207.11391 151.3
[M+NH4]+ 226.15501 163.5
[M+K]+ 247.08435 151.3
[M+H-H2O]+ 191.11845 138.5
[M+HCOO]- 253.11939 165.9
[M+CH3COO]- 267.13504 185.6
[M+Na-2H]- 229.09586 153.4
[M]+ 208.12064 142.9
[M]- 208.12174 142.9
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.