CID 19977729

1196153-27-1

Structural Information

Molecular Formula
C8H7NO2
SMILES
C1COC2=C(C1=O)C=CC=N2
InChI
InChI=1S/C8H7NO2/c10-7-3-5-11-8-6(7)2-1-4-9-8/h1-2,4H,3,5H2
InChIKey
BRXWJQKRZSDABL-UHFFFAOYSA-N
Compound name
2,3-dihydropyrano[2,3-b]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

149.04768 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.05496 127.0
[M+Na]+ 172.03690 141.1
[M+NH4]+ 167.08150 136.4
[M+K]+ 188.01084 134.8
[M-H]- 148.04040 130.7
[M+Na-2H]- 170.02235 133.7
[M]+ 149.04713 130.1
[M]- 149.04823 130.1
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