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]+ 166.08626 133.6
[M+Na]+ 188.06820 141.8
[M-H]- 164.07170 138.7
[M+NH4]+ 183.11280 154.5
[M+K]+ 204.04214 140.5
[M+H-H2O]+ 148.07624 128.1
[M+HCOO]- 210.07718 155.2
[M+CH3COO]- 224.09283 173.5
[M+Na-2H]- 186.05365 136.3
[M]+ 165.07843 131.8
[M]- 165.07953 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.