CID 97839

13602-48-7

Structural Information

Molecular Formula
C11H11NO3
SMILES
C1COC(=O)C1NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C11H11NO3/c13-10(8-4-2-1-3-5-8)12-9-6-7-15-11(9)14/h1-5,9H,6-7H2,(H,12,13)
InChIKey
HUNZJKFFMPFZTC-UHFFFAOYSA-N
Compound name
N-(2-oxooxolan-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

16
Patents

205.0739 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.081176 142.8
[M+Na]+ 228.063118 148.9
[M-H]- 204.066624 150.0
[M+NH4]+ 223.107723 161.5
[M+K]+ 244.037058 148.0
[M+H-H2O]+ 188.071160 136.3
[M+HCOO]- 250.072101 166.2
[M+CH3COO]- 264.087751 184.3
[M+Na-2H]- 226.048566 147.4
[M]+ 205.07335142 141.2
[M]- 205.07444858 141.2
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