CID 95589

63981-45-3

Structural Information

Molecular Formula
C11H20N2O4
SMILES
CCOC(=O)N1CCN(C(C1)C)C(=O)OCC
InChI
InChI=1S/C11H20N2O4/c1-4-16-10(14)12-6-7-13(9(3)8-12)11(15)17-5-2/h9H,4-8H2,1-3H3
InChIKey
NEUYJXYCELJYTG-UHFFFAOYSA-N
Compound name
diethyl 2-methylpiperazine-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.1423 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.14958 156.5
[M+Na]+ 267.13152 162.1
[M-H]- 243.13502 156.7
[M+NH4]+ 262.17612 171.5
[M+K]+ 283.10546 162.1
[M+H-H2O]+ 227.13956 149.0
[M+HCOO]- 289.14050 172.8
[M+CH3COO]- 303.15615 191.7
[M+Na-2H]- 265.11697 157.1
[M]+ 244.14175 157.6
[M]- 244.14285 157.6
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.