CID 39081

42013-29-6

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]+ 206.081176 142.9
[M+Na]+ 228.063118 149.9
[M-H]- 204.066624 150.0
[M+NH4]+ 223.107723 161.6
[M+K]+ 244.037058 148.7
[M+H-H2O]+ 188.071160 136.7
[M+HCOO]- 250.072101 165.7
[M+CH3COO]- 264.087751 185.5
[M+Na-2H]- 226.048566 145.8
[M]+ 205.07335142 140.8
[M]- 205.07444858 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.