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]+ 259.16524 160.7
[M+Na]+ 281.14718 164.5
[M-H]- 257.15068 160.4
[M+NH4]+ 276.19178 174.6
[M+K]+ 297.12112 164.7
[M+H-H2O]+ 241.15522 152.8
[M+HCOO]- 303.15616 175.7
[M+CH3COO]- 317.17181 195.7
[M+Na-2H]- 279.13263 160.3
[M]+ 258.15741 161.3
[M]- 258.15851 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.