CID 13195060

88877-58-1

Structural Information

Molecular Formula

C₁₁H₁₁NO₃

SMILES

C1C(CNC1=O)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C11H11NO3/c13-10-6-9(7-12-10)15-11(14)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,13)

InChIKey

ZGBMPGKGTDOIBF-UHFFFAOYSA-N

Compound name

(5-oxopyrrolidin-3-yl) benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 205.0739 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	206.081176	143.5
[M+Na]+	228.063118	149.9
[M-H]-	204.066624	147.4
[M+NH4]+	223.107723	161.7
[M+K]+	244.037058	147.3
[M+H-H2O]+	188.071160	136.5
[M+HCOO]-	250.072101	164.1
[M+CH3COO]-	264.087751	179.4
[M+Na-2H]-	226.048566	146.3
[M]+	205.07335142	140.6
[M]-	205.07444858	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe