CID 46863955

Tert-butyl 4-(5-formylfuran-2-yl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C14H20N2O4
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)C2=CC=C(O2)C=O
InChI
InChI=1S/C14H20N2O4/c1-14(2,3)20-13(18)16-8-6-15(7-9-16)12-5-4-11(10-17)19-12/h4-5,10H,6-9H2,1-3H3
InChIKey
FNNOEZIWGHIYEM-UHFFFAOYSA-N
Compound name
tert-butyl 4-(5-formylfuran-2-yl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

280.1423 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.14958 165.0
[M+Na]+ 303.13152 171.0
[M-H]- 279.13502 169.4
[M+NH4]+ 298.17612 178.7
[M+K]+ 319.10546 170.7
[M+H-H2O]+ 263.13956 157.5
[M+HCOO]- 325.14050 181.0
[M+CH3COO]- 339.15615 196.6
[M+Na-2H]- 301.11697 166.9
[M]+ 280.14175 166.1
[M]- 280.14285 166.1
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