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 164.2
[M+Na]+ 278.14752 167.0
[M-H]- 254.15102 162.9
[M+NH4]+ 273.19212 169.2
[M+K]+ 294.12146 167.6
[M+H-H2O]+ 238.15556 150.9
[M+HCOO]- 300.15650 173.1
[M+CH3COO]- 314.17215 192.1
[M+Na-2H]- 276.13297 164.3
[M]+ 255.15775 166.7
[M]- 255.15885 166.7
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.