CID 204976

Piperazine, 1,4-bis(butoxyacetyl)-

Structural Information

Molecular Formula
C16H30N2O4
SMILES
CCCCOCC(=O)N1CCN(CC1)C(=O)COCCCC
InChI
InChI=1S/C16H30N2O4/c1-3-5-11-21-13-15(19)17-7-9-18(10-8-17)16(20)14-22-12-6-4-2/h3-14H2,1-2H3
InChIKey
OIABNNBFKLLPIG-UHFFFAOYSA-N
Compound name
2-butoxy-1-[4-(2-butoxyacetyl)piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.22055 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.227826 178.9
[M+Na]+ 337.209768 181.1
[M-H]- 313.213274 177.6
[M+NH4]+ 332.254373 190.5
[M+K]+ 353.183708 179.9
[M+H-H2O]+ 297.217810 170.0
[M+HCOO]- 359.218751 193.4
[M+CH3COO]- 373.234401 206.7
[M+Na-2H]- 335.195216 177.6
[M]+ 314.22000142 181.5
[M]- 314.22109858 181.5
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.