CID 2757384

129799-11-7

Structural Information

Molecular Formula
C14H18N2O4
SMILES
COC(=O)C1CN(CCN1)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C14H18N2O4/c1-19-13(17)12-9-16(8-7-15-12)14(18)20-10-11-5-3-2-4-6-11/h2-6,12,15H,7-10H2,1H3
InChIKey
FYKXWBBQYZXPFB-UHFFFAOYSA-N
Compound name
1-O-benzyl 3-O-methyl piperazine-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

278.12665 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.13393 164.5
[M+Na]+ 301.11587 174.5
[M+NH4]+ 296.16047 169.8
[M+K]+ 317.08981 170.0
[M-H]- 277.11937 164.9
[M+Na-2H]- 299.10132 169.0
[M]+ 278.12610 165.6
[M]- 278.12720 165.6
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

patents stripe