CID 46737942

2-(hydroxymethyl)furo[3,2-b]pyridin-6-ol

Structural Information

Molecular Formula
C8H7NO3
SMILES
C1=C(C=NC2=C1OC(=C2)CO)O
InChI
InChI=1S/C8H7NO3/c10-4-6-2-7-8(12-6)1-5(11)3-9-7/h1-3,10-11H,4H2
InChIKey
WALUGOSWTLIXRH-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)furo[3,2-b]pyridin-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

165.04259 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.049866 128.2
[M+Na]+ 188.031808 139.5
[M-H]- 164.035314 130.7
[M+NH4]+ 183.076413 148.3
[M+K]+ 204.005748 137.6
[M+H-H2O]+ 148.039850 123.0
[M+HCOO]- 210.040791 150.7
[M+CH3COO]- 224.056441 171.3
[M+Na-2H]- 186.017256 137.2
[M]+ 165.04204142 131.3
[M]- 165.04313858 131.3
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