CID 9793902

223389-16-0

Structural Information

Molecular Formula
C9H7NO2
SMILES
CC(=O)C1=NC=C2C(=C1)C=CO2
InChI
InChI=1S/C9H7NO2/c1-6(11)8-4-7-2-3-12-9(7)5-10-8/h2-5H,1H3
InChIKey
HKOXPERDUASDCQ-UHFFFAOYSA-N
Compound name
1-furo[2,3-c]pyridin-5-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

32
Patents

161.04768 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.05496 128.4
[M+Na]+ 184.03690 139.3
[M-H]- 160.04040 133.2
[M+NH4]+ 179.08150 149.7
[M+K]+ 200.01084 138.4
[M+H-H2O]+ 144.04494 122.6
[M+HCOO]- 206.04588 152.6
[M+CH3COO]- 220.06153 176.2
[M+Na-2H]- 182.02235 137.2
[M]+ 161.04713 132.4
[M]- 161.04823 132.4
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