CID 79307949

Tert-butyl 3-carbamoyl-3-(piperazin-1-yl)azetidine-1-carboxylate

Structural Information

Molecular Formula
C13H24N4O3
SMILES
CC(C)(C)OC(=O)N1CC(C1)(C(=O)N)N2CCNCC2
InChI
InChI=1S/C13H24N4O3/c1-12(2,3)20-11(19)16-8-13(9-16,10(14)18)17-6-4-15-5-7-17/h15H,4-9H2,1-3H3,(H2,14,18)
InChIKey
SWPMSKBCNHQVCT-UHFFFAOYSA-N
Compound name
tert-butyl 3-carbamoyl-3-piperazin-1-ylazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.18484 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.192116 174.6
[M+Na]+ 307.174058 176.0
[M-H]- 283.177564 173.9
[M+NH4]+ 302.218663 180.0
[M+K]+ 323.147998 177.8
[M+H-H2O]+ 267.182100 161.4
[M+HCOO]- 329.183041 183.9
[M+CH3COO]- 343.198691 201.0
[M+Na-2H]- 305.159506 174.7
[M]+ 284.18429142 176.8
[M]- 284.18538858 176.8
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

No patent data available for this compound.