CID 39081

5-oxo-4-phenyltetrahydro-2-furamide

Structural Information

Molecular Formula
C11H11NO3
SMILES
C1C(C(=O)OC1C(=O)N)C2=CC=CC=C2
InChI
InChI=1S/C11H11NO3/c12-10(13)9-6-8(11(14)15-9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H2,12,13)
InChIKey
NBJCIFFNSBPITC-UHFFFAOYSA-N
Compound name
5-oxo-4-phenyloxolane-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.0739 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 142.9
[M+Na]+ 228.06312 149.9
[M-H]- 204.06662 150.0
[M+NH4]+ 223.10772 161.6
[M+K]+ 244.03706 148.7
[M+H-H2O]+ 188.07116 136.7
[M+HCOO]- 250.07210 165.7
[M+CH3COO]- 264.08775 185.5
[M+Na-2H]- 226.04857 145.8
[M]+ 205.07335 140.8
[M]- 205.07445 140.8
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

No patent data available for this compound.