CID 95589

1,4-piperazinedicarboxylic acid, 2-methyl-, diethyl ester

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]+ 245.149576 156.5
[M+Na]+ 267.131518 162.1
[M-H]- 243.135024 156.7
[M+NH4]+ 262.176123 171.5
[M+K]+ 283.105458 162.1
[M+H-H2O]+ 227.139560 149.0
[M+HCOO]- 289.140501 172.8
[M+CH3COO]- 303.156151 191.7
[M+Na-2H]- 265.116966 157.1
[M]+ 244.14175142 157.6
[M]- 244.14284858 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.