CID 47252237

Tert-butyl 4-(ethylcarbamoyl)piperazine-1-carboxylate

Structural Information

Molecular Formula
C12H23N3O3
SMILES
CCNC(=O)N1CCN(CC1)C(=O)OC(C)(C)C
InChI
InChI=1S/C12H23N3O3/c1-5-13-10(16)14-6-8-15(9-7-14)11(17)18-12(2,3)4/h5-9H2,1-4H3,(H,13,16)
InChIKey
LLCLPVWQQMAGEF-UHFFFAOYSA-N
Compound name
tert-butyl 4-(ethylcarbamoyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

257.17395 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.18123 163.0
[M+Na]+ 280.16317 166.9
[M-H]- 256.16667 163.0
[M+NH4]+ 275.20777 177.0
[M+K]+ 296.13711 166.5
[M+H-H2O]+ 240.17121 155.6
[M+HCOO]- 302.17215 178.2
[M+CH3COO]- 316.18780 196.1
[M+Na-2H]- 278.14862 164.9
[M]+ 257.17340 161.2
[M]- 257.17450 161.2
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