CID 21873668

2,3-dihydro[1,4]dioxino[2,3-c]pyridine-7-carbaldehyde

Structural Information

Molecular Formula
C8H7NO3
SMILES
C1COC2=C(O1)C=C(N=C2)C=O
InChI
InChI=1S/C8H7NO3/c10-5-6-3-7-8(4-9-6)12-2-1-11-7/h3-5H,1-2H2
InChIKey
OMWBUWDHEZIMGQ-UHFFFAOYSA-N
Compound name
2,3-dihydro-[1,4]dioxino[2,3-c]pyridine-7-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

398
Patents

165.04259 Da
Monoisotopic Mass

0.4
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

literature stripe

Patent stripe

patents stripe