CID 206938

Brn 0797569

Structural Information

Molecular Formula
C12H22N2O4
SMILES
CCOC(=O)C(C(=O)OCC)N1CCN(CC1)C
InChI
InChI=1S/C12H22N2O4/c1-4-17-11(15)10(12(16)18-5-2)14-8-6-13(3)7-9-14/h10H,4-9H2,1-3H3
InChIKey
ZPZXWIMJTOZCFL-UHFFFAOYSA-N
Compound name
diethyl 2-(4-methylpiperazin-1-yl)propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.15796 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.165236 160.7
[M+Na]+ 281.147178 164.5
[M-H]- 257.150684 160.4
[M+NH4]+ 276.191783 174.6
[M+K]+ 297.121118 164.7
[M+H-H2O]+ 241.155220 152.8
[M+HCOO]- 303.156161 175.7
[M+CH3COO]- 317.171811 195.7
[M+Na-2H]- 279.132626 160.3
[M]+ 258.15741142 161.3
[M]- 258.15850858 161.3
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.