CID 59817704

1-tert-butyl 3-methyl 5-oxopiperazine-1,3-dicarboxylate

Structural Information

Molecular Formula
C11H18N2O5
SMILES
CC(C)(C)OC(=O)N1CC(NC(=O)C1)C(=O)OC
InChI
InChI=1S/C11H18N2O5/c1-11(2,3)18-10(16)13-5-7(9(15)17-4)12-8(14)6-13/h7H,5-6H2,1-4H3,(H,12,14)
InChIKey
FQTDIZOVFWSTBE-UHFFFAOYSA-N
Compound name
1-O-tert-butyl 3-O-methyl 5-oxopiperazine-1,3-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

258.12158 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.128856 157.6
[M+Na]+ 281.110798 163.3
[M-H]- 257.114304 156.8
[M+NH4]+ 276.155403 171.2
[M+K]+ 297.084738 162.9
[M+H-H2O]+ 241.118840 151.2
[M+HCOO]- 303.119781 171.2
[M+CH3COO]- 317.135431 191.0
[M+Na-2H]- 279.096246 158.9
[M]+ 258.12103142 157.1
[M]- 258.12212858 157.1
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