CID 16786053

1-(2,5-dimethylfuran-3-carbonyl)piperazine

Structural Information

Molecular Formula
C11H16N2O2
SMILES
CC1=CC(=C(O1)C)C(=O)N2CCNCC2
InChI
InChI=1S/C11H16N2O2/c1-8-7-10(9(2)15-8)11(14)13-5-3-12-4-6-13/h7,12H,3-6H2,1-2H3
InChIKey
YQWMOQGTIGAWIU-UHFFFAOYSA-N
Compound name
(2,5-dimethylfuran-3-yl)-piperazin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.12119 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.12847 147.9
[M+Na]+ 231.11041 154.2
[M-H]- 207.11391 150.9
[M+NH4]+ 226.15501 163.8
[M+K]+ 247.08435 152.6
[M+H-H2O]+ 191.11845 140.4
[M+HCOO]- 253.11939 164.3
[M+CH3COO]- 267.13504 182.5
[M+Na-2H]- 229.09586 149.5
[M]+ 208.12064 144.4
[M]- 208.12174 144.4
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

No patent data available for this compound.