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]+ 209.128466 146.2
[M+Na]+ 231.110408 152.1
[M-H]- 207.113914 151.3
[M+NH4]+ 226.155013 163.5
[M+K]+ 247.084348 151.3
[M+H-H2O]+ 191.118450 138.5
[M+HCOO]- 253.119391 165.9
[M+CH3COO]- 267.135041 185.6
[M+Na-2H]- 229.095856 153.4
[M]+ 208.12064142 142.9
[M]- 208.12173858 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.