CID 71755960

1-(furan-2-yl)-2-(pyrrolidin-2-yl)ethan-1-one hydrochloride

Structural Information

Molecular Formula
C10H13NO2
SMILES
C1CC(NC1)CC(=O)C2=CC=CO2
InChI
InChI=1S/C10H13NO2/c12-9(10-4-2-6-13-10)7-8-3-1-5-11-8/h2,4,6,8,11H,1,3,5,7H2
InChIKey
QQLBPYDYGUPSIH-UHFFFAOYSA-N
Compound name
1-(furan-2-yl)-2-pyrrolidin-2-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.09464 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.101916 139.6
[M+Na]+ 202.083858 145.2
[M-H]- 178.087364 143.8
[M+NH4]+ 197.128463 159.2
[M+K]+ 218.057798 144.2
[M+H-H2O]+ 162.091900 133.3
[M+HCOO]- 224.092841 159.8
[M+CH3COO]- 238.108491 175.1
[M+Na-2H]- 200.069306 141.8
[M]+ 179.09409142 136.7
[M]- 179.09518858 136.7
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.