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]+ 259.16524 161.1
[M+Na]+ 281.14718 165.0
[M-H]- 257.15068 160.5
[M+NH4]+ 276.19178 174.9
[M+K]+ 297.12112 164.7
[M+H-H2O]+ 241.15522 152.9
[M+HCOO]- 303.15616 177.0
[M+CH3COO]- 317.17181 194.8
[M+Na-2H]- 279.13263 161.8
[M]+ 258.15741 162.2
[M]- 258.15851 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.