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]+ 281.149576 165.0
[M+Na]+ 303.131518 171.0
[M-H]- 279.135024 169.4
[M+NH4]+ 298.176123 178.7
[M+K]+ 319.105458 170.7
[M+H-H2O]+ 263.139560 157.5
[M+HCOO]- 325.140501 181.0
[M+CH3COO]- 339.156151 196.6
[M+Na-2H]- 301.116966 166.9
[M]+ 280.14175142 166.1
[M]- 280.14284858 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