CID 23078619

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

Structural Information

Molecular Formula
C15H28N2O4
SMILES
CC1CN(CCN1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
InChI
InChI=1S/C15H28N2O4/c1-11-10-16(12(18)20-14(2,3)4)8-9-17(11)13(19)21-15(5,6)7/h11H,8-10H2,1-7H3
InChIKey
IMKNVNIIMKCRIO-UHFFFAOYSA-N
Compound name
ditert-butyl 2-methylpiperazine-1,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

300.2049 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.21218 172.5
[M+Na]+ 323.19412 177.5
[M-H]- 299.19762 172.9
[M+NH4]+ 318.23872 185.8
[M+K]+ 339.16806 177.6
[M+H-H2O]+ 283.20216 166.2
[M+HCOO]- 345.20310 184.5
[M+CH3COO]- 359.21875 203.2
[M+Na-2H]- 321.17957 173.5
[M]+ 300.20435 174.1
[M]- 300.20545 174.1
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