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]+ 138.05496 123.6
[M+Na]+ 160.03690 132.1
[M-H]- 136.04040 126.1
[M+NH4]+ 155.08150 144.9
[M+K]+ 176.01084 130.8
[M+H-H2O]+ 120.04494 118.3
[M+HCOO]- 182.04588 143.6
[M+CH3COO]- 196.06153 137.6
[M+Na-2H]- 158.02235 131.3
[M]+ 137.04713 121.3
[M]- 137.04823 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