CID 155970392

2352421-09-9

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]+ 256.165576 164.2
[M+Na]+ 278.147518 167.0
[M-H]- 254.151024 162.9
[M+NH4]+ 273.192123 169.2
[M+K]+ 294.121458 167.6
[M+H-H2O]+ 238.155560 150.9
[M+HCOO]- 300.156501 173.1
[M+CH3COO]- 314.172151 192.1
[M+Na-2H]- 276.132966 164.3
[M]+ 255.15775142 166.7
[M]- 255.15884858 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.