CID 84071405

2418658-73-6

Structural Information

Molecular Formula
C8H10N2O2
SMILES
C1COC2=C(O1)C=CC(=N2)CN
InChI
InChI=1S/C8H10N2O2/c9-5-6-1-2-7-8(10-6)12-4-3-11-7/h1-2H,3-5,9H2
InChIKey
XVPXGFKGCOWQPI-UHFFFAOYSA-N
Compound name
2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.07423 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08151 132.7
[M+Na]+ 189.06345 140.2
[M-H]- 165.06695 136.5
[M+NH4]+ 184.10805 149.8
[M+K]+ 205.03739 140.5
[M+H-H2O]+ 149.07149 125.7
[M+HCOO]- 211.07243 152.3
[M+CH3COO]- 225.08808 145.9
[M+Na-2H]- 187.04890 142.9
[M]+ 166.07368 131.5
[M]- 166.07478 131.5
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

No patent data available for this compound.