CID 22710902

1,4-di-tert-butyl 2-formylpiperazine-1,4-dicarboxylate

Structural Information

Molecular Formula
C15H26N2O5
SMILES
CC(C)(C)OC(=O)N1CCN(C(C1)C=O)C(=O)OC(C)(C)C
InChI
InChI=1S/C15H26N2O5/c1-14(2,3)21-12(19)16-7-8-17(11(9-16)10-18)13(20)22-15(4,5)6/h10-11H,7-9H2,1-6H3
InChIKey
BYGMEAQCXLANNP-UHFFFAOYSA-N
Compound name
ditert-butyl 2-formylpiperazine-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

314.18417 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.191446 173.5
[M+Na]+ 337.173388 178.6
[M-H]- 313.176894 173.9
[M+NH4]+ 332.217993 186.0
[M+K]+ 353.147328 178.8
[M+H-H2O]+ 297.181430 167.1
[M+HCOO]- 359.182371 185.9
[M+CH3COO]- 373.198021 204.5
[M+Na-2H]- 335.158836 174.8
[M]+ 314.18362142 175.8
[M]- 314.18471858 175.8
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