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

61
Patents

314.18417 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.19145 173.5
[M+Na]+ 337.17339 178.6
[M-H]- 313.17689 173.9
[M+NH4]+ 332.21799 186.0
[M+K]+ 353.14733 178.8
[M+H-H2O]+ 297.18143 167.1
[M+HCOO]- 359.18237 185.9
[M+CH3COO]- 373.19802 204.5
[M+Na-2H]- 335.15884 174.8
[M]+ 314.18362 175.8
[M]- 314.18472 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