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 161.6
[M+Na]+ 296.12170 166.1
[M-H]- 272.12520 160.3
[M+NH4]+ 291.16630 173.9
[M+K]+ 312.09564 166.0
[M+H-H2O]+ 256.12974 154.9
[M+HCOO]- 318.13068 174.6
[M+CH3COO]- 332.14633 196.7
[M+Na-2H]- 294.10715 161.2
[M]+ 273.13193 158.6
[M]- 273.13303 158.6
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.