CID 66108911

4-(furan-2-yl)-5-methylpyrrolidin-2-one

Structural Information

Molecular Formula
C9H11NO2
SMILES
CC1C(CC(=O)N1)C2=CC=CO2
InChI
InChI=1S/C9H11NO2/c1-6-7(5-9(11)10-6)8-3-2-4-12-8/h2-4,6-7H,5H2,1H3,(H,10,11)
InChIKey
GKTYXTCYDJXAAS-UHFFFAOYSA-N
Compound name
4-(furan-2-yl)-5-methylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.07898 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.086256 133.6
[M+Na]+ 188.068198 141.8
[M-H]- 164.071704 138.7
[M+NH4]+ 183.112803 154.5
[M+K]+ 204.042138 140.5
[M+H-H2O]+ 148.076240 128.1
[M+HCOO]- 210.077181 155.2
[M+CH3COO]- 224.092831 173.5
[M+Na-2H]- 186.053646 136.3
[M]+ 165.07843142 131.8
[M]- 165.07952858 131.8
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.