CID 155970392

Tert-butyl 3-(3-oxopiperazin-2-yl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C12H21N3O3
SMILES
CC(C)(C)OC(=O)N1CC(C1)C2C(=O)NCCN2
InChI
InChI=1S/C12H21N3O3/c1-12(2,3)18-11(17)15-6-8(7-15)9-10(16)14-5-4-13-9/h8-9,13H,4-7H2,1-3H3,(H,14,16)
InChIKey
DSNABMYLAFXKNU-UHFFFAOYSA-N
Compound name
tert-butyl 3-(3-oxopiperazin-2-yl)azetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.1583 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.16558 164.3
[M+Na]+ 278.14752 167.5
[M+NH4]+ 273.19212 164.7
[M+K]+ 294.12146 166.6
[M-H]- 254.15102 159.5
[M+Na-2H]- 276.13297 162.9
[M]+ 255.15775 161.7
[M]- 255.15885 161.7
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

No patent data available for this compound.