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

72
Patents

165.04259 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.04987 129.0
[M+Na]+ 188.03181 137.7
[M-H]- 164.03531 133.5
[M+NH4]+ 183.07641 146.7
[M+K]+ 204.00575 138.4
[M+H-H2O]+ 148.03985 122.4
[M+HCOO]- 210.04079 148.7
[M+CH3COO]- 224.05644 175.7
[M+Na-2H]- 186.01726 140.0
[M]+ 165.04204 130.3
[M]- 165.04314 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