CID 11007968

2,3-dihydro-1,4-dioxino[2,3-b]pyridine

Structural Information

Molecular Formula
C7H7NO2
SMILES
C1COC2=C(O1)C=CC=N2
InChI
InChI=1S/C7H7NO2/c1-2-6-7(8-3-1)10-5-4-9-6/h1-3H,4-5H2
InChIKey
QWQZJEXJTYAPGE-UHFFFAOYSA-N
Compound name
2,3-dihydro-[1,4]dioxino[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

982
Patents

137.04768 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.05496 122.3
[M+Na]+ 160.03690 130.2
[M-H]- 136.04040 126.5
[M+NH4]+ 155.08150 140.9
[M+K]+ 176.01084 131.3
[M+H-H2O]+ 120.04494 115.8
[M+HCOO]- 182.04588 141.9
[M+CH3COO]- 196.06153 136.5
[M+Na-2H]- 158.02235 134.5
[M]+ 137.04713 122.0
[M]- 137.04823 122.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe