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]+ 168.06552 131.0
[M+Na]+ 190.04746 138.9
[M-H]- 166.05096 134.0
[M+NH4]+ 185.09206 147.9
[M+K]+ 206.02140 139.3
[M+H-H2O]+ 150.05550 124.5
[M+HCOO]- 212.05644 148.9
[M+CH3COO]- 226.07209 173.9
[M+Na-2H]- 188.03291 141.5
[M]+ 167.05769 131.1
[M]- 167.05879 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