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]+ 180.10192 139.6
[M+Na]+ 202.08386 145.2
[M-H]- 178.08736 143.8
[M+NH4]+ 197.12846 159.2
[M+K]+ 218.05780 144.2
[M+H-H2O]+ 162.09190 133.3
[M+HCOO]- 224.09284 159.8
[M+CH3COO]- 238.10849 175.1
[M+Na-2H]- 200.06931 141.8
[M]+ 179.09409 136.7
[M]- 179.09519 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.