CID 14751355

126937-43-7

Structural Information

Molecular Formula
C14H18N2O4
SMILES
COC(=O)C1CNCCN1C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C14H18N2O4/c1-19-13(17)12-9-15-7-8-16(12)14(18)20-10-11-5-3-2-4-6-11/h2-6,12,15H,7-10H2,1H3
InChIKey
HOLPEQRNMJTIIX-UHFFFAOYSA-N
Compound name
1-O-benzyl 2-O-methyl piperazine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
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 164.1
[M+Na]+ 301.11587 168.0
[M-H]- 277.11937 165.6
[M+NH4]+ 296.16047 175.9
[M+K]+ 317.08981 165.7
[M+H-H2O]+ 261.12391 155.0
[M+HCOO]- 323.12485 179.3
[M+CH3COO]- 337.14050 193.5
[M+Na-2H]- 299.10132 165.9
[M]+ 278.12610 161.3
[M]- 278.12720 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

patents stripe