CID 21873786

2h,3h-[1,4]dioxino[2,3-b]pyridine-6-carbaldehyde

Structural Information

Molecular Formula
C8H7NO3
SMILES
C1COC2=C(O1)C=CC(=N2)C=O
InChI
InChI=1S/C8H7NO3/c10-5-6-1-2-7-8(9-6)12-4-3-11-7/h1-2,5H,3-4H2
InChIKey
SUDWZZCLUSUTBF-UHFFFAOYSA-N
Compound name
2,3-dihydro-[1,4]dioxino[2,3-b]pyridine-6-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

165.04259 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.049866 129.0
[M+Na]+ 188.031808 137.7
[M-H]- 164.035314 133.5
[M+NH4]+ 183.076413 146.7
[M+K]+ 204.005748 138.4
[M+H-H2O]+ 148.039850 122.4
[M+HCOO]- 210.040791 148.7
[M+CH3COO]- 224.056441 175.7
[M+Na-2H]- 186.017256 140.0
[M]+ 165.04204142 130.3
[M]- 165.04313858 130.3
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

patents stripe