CID 21873716

(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)methanol

Structural Information

Molecular Formula
C8H9NO3
SMILES
C1COC2=C(O1)C=CC(=N2)CO
InChI
InChI=1S/C8H9NO3/c10-5-6-1-2-7-8(9-6)12-4-3-11-7/h1-2,10H,3-5H2
InChIKey
QLKMUCAACLOULA-UHFFFAOYSA-N
Compound name
2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

167.05824 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.065516 131.0
[M+Na]+ 190.047458 138.9
[M-H]- 166.050964 134.0
[M+NH4]+ 185.092063 147.9
[M+K]+ 206.021398 139.3
[M+H-H2O]+ 150.055500 124.5
[M+HCOO]- 212.056441 148.9
[M+CH3COO]- 226.072091 173.9
[M+Na-2H]- 188.032906 141.5
[M]+ 167.05769142 131.1
[M]- 167.05878858 131.1
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