CID 66107387

4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-2-one

Structural Information

Molecular Formula
C12H13NO2
SMILES
C1COC2=C1C=C(C=C2)C3CC(=O)NC3
InChI
InChI=1S/C12H13NO2/c14-12-6-10(7-13-12)8-1-2-11-9(5-8)3-4-15-11/h1-2,5,10H,3-4,6-7H2,(H,13,14)
InChIKey
QMKGAOJSILDDMZ-UHFFFAOYSA-N
Compound name
4-(2,3-dihydro-1-benzofuran-5-yl)pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

203.09464 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.10192 143.4
[M+Na]+ 226.08386 150.8
[M-H]- 202.08736 148.9
[M+NH4]+ 221.12846 163.5
[M+K]+ 242.05780 148.1
[M+H-H2O]+ 186.09190 137.5
[M+HCOO]- 248.09284 162.4
[M+CH3COO]- 262.10849 156.2
[M+Na-2H]- 224.06931 146.0
[M]+ 203.09409 140.1
[M]- 203.09519 140.1
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