CID 204974

Piperazine, 1,4-bis(ethoxyacetyl)-

Structural Information

Molecular Formula
C12H22N2O4
SMILES
CCOCC(=O)N1CCN(CC1)C(=O)COCC
InChI
InChI=1S/C12H22N2O4/c1-3-17-9-11(15)13-5-7-14(8-6-13)12(16)10-18-4-2/h3-10H2,1-2H3
InChIKey
LLQTUNYDYXBRBV-UHFFFAOYSA-N
Compound name
2-ethoxy-1-[4-(2-ethoxyacetyl)piperazin-1-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.15796 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.165236 161.1
[M+Na]+ 281.147178 165.0
[M-H]- 257.150684 160.5
[M+NH4]+ 276.191783 174.9
[M+K]+ 297.121118 164.7
[M+H-H2O]+ 241.155220 152.9
[M+HCOO]- 303.156161 177.0
[M+CH3COO]- 317.171811 194.8
[M+Na-2H]- 279.132626 161.8
[M]+ 258.15741142 162.2
[M]- 258.15850858 162.2
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.