CID 22727032

Tert-butyl 3-methyl-5-oxopiperazine-1-carboxylate

Structural Information

Molecular Formula
C10H18N2O3
SMILES
CC1CN(CC(=O)N1)C(=O)OC(C)(C)C
InChI
InChI=1S/C10H18N2O3/c1-7-5-12(6-8(13)11-7)9(14)15-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,13)
InChIKey
CSDMPDKITXDRDO-UHFFFAOYSA-N
Compound name
tert-butyl 3-methyl-5-oxopiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

214.13174 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.139016 150.2
[M+Na]+ 237.120958 156.5
[M-H]- 213.124464 149.5
[M+NH4]+ 232.165563 165.9
[M+K]+ 253.094898 155.2
[M+H-H2O]+ 197.129000 144.0
[M+HCOO]- 259.129941 164.5
[M+CH3COO]- 273.145591 184.2
[M+Na-2H]- 235.106406 152.8
[M]+ 214.13119142 147.8
[M]- 214.13228858 147.8
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