CID 72109408

4-[(tert-butoxy)carbonyl]-1-carbamoylpiperazine-2-carboxylic acid

Structural Information

Molecular Formula
C11H19N3O5
SMILES
CC(C)(C)OC(=O)N1CCN(C(C1)C(=O)O)C(=O)N
InChI
InChI=1S/C11H19N3O5/c1-11(2,3)19-10(18)13-4-5-14(9(12)17)7(6-13)8(15)16/h7H,4-6H2,1-3H3,(H2,12,17)(H,15,16)
InChIKey
IJCLGVSZIBNYEK-UHFFFAOYSA-N
Compound name
1-carbamoyl-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.13248 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.13976 160.6
[M+Na]+ 296.12170 165.8
[M+NH4]+ 291.16630 163.2
[M+K]+ 312.09564 166.1
[M-H]- 272.12520 156.6
[M+Na-2H]- 294.10715 159.7
[M]+ 273.13193 159.4
[M]- 273.13303 159.4
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.