CID 15553227

2,5-dimethyl-4-(1-pyrrolidinyl)-3(2h)-furanone

Structural Information

Molecular Formula
C10H15NO2
SMILES
CC1C(=O)C(=C(O1)C)N2CCCC2
InChI
InChI=1S/C10H15NO2/c1-7-9(10(12)8(2)13-7)11-5-3-4-6-11/h8H,3-6H2,1-2H3
InChIKey
FRPGHNBHIDMQGT-UHFFFAOYSA-N
Compound name
2,5-dimethyl-4-pyrrolidin-1-ylfuran-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

857
Patents

181.11028 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.11756 139.0
[M+Na]+ 204.09950 147.1
[M-H]- 180.10300 145.3
[M+NH4]+ 199.14410 160.2
[M+K]+ 220.07344 146.7
[M+H-H2O]+ 164.10754 133.5
[M+HCOO]- 226.10848 160.3
[M+CH3COO]- 240.12413 180.6
[M+Na-2H]- 202.08495 140.1
[M]+ 181.10973 138.4
[M]- 181.11083 138.4
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