CID 54267579

1528800-56-7

Structural Information

Molecular Formula
C7H7NO2
SMILES
C1CNC(=O)C2=C1OC=C2
InChI
InChI=1S/C7H7NO2/c9-7-5-2-4-10-6(5)1-3-8-7/h2,4H,1,3H2,(H,8,9)
InChIKey
RHVJIIQZEGOGPR-UHFFFAOYSA-N
Compound name
6,7-dihydro-5H-furo[3,2-c]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

137.04768 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.054956 123.6
[M+Na]+ 160.036898 132.1
[M-H]- 136.040404 126.1
[M+NH4]+ 155.081503 144.9
[M+K]+ 176.010838 130.8
[M+H-H2O]+ 120.044940 118.3
[M+HCOO]- 182.045881 143.6
[M+CH3COO]- 196.061531 137.6
[M+Na-2H]- 158.022346 131.3
[M]+ 137.04713142 121.3
[M]- 137.04822858 121.3
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