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]+ 315.22783 178.9
[M+Na]+ 337.20977 181.1
[M-H]- 313.21327 177.6
[M+NH4]+ 332.25437 190.5
[M+K]+ 353.18371 179.9
[M+H-H2O]+ 297.21781 170.0
[M+HCOO]- 359.21875 193.4
[M+CH3COO]- 373.23440 206.7
[M+Na-2H]- 335.19522 177.6
[M]+ 314.22000 181.5
[M]- 314.22110 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.