CID 71607253

1-[(tert-butoxy)carbonyl]-5-oxopiperazine-2-carboxylic acid

Structural Information

Molecular Formula
C10H16N2O5
SMILES
CC(C)(C)OC(=O)N1CC(=O)NCC1C(=O)O
InChI
InChI=1S/C10H16N2O5/c1-10(2,3)17-9(16)12-5-7(13)11-4-6(12)8(14)15/h6H,4-5H2,1-3H3,(H,11,13)(H,14,15)
InChIKey
PYQDNNRESXVUND-UHFFFAOYSA-N
Compound name
1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopiperazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

244.10593 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.11321 153.9
[M+Na]+ 267.09515 159.5
[M-H]- 243.09865 151.8
[M+NH4]+ 262.13975 167.2
[M+K]+ 283.06909 158.5
[M+H-H2O]+ 227.10319 147.8
[M+HCOO]- 289.10413 166.3
[M+CH3COO]- 303.11978 186.3
[M+Na-2H]- 265.08060 155.2
[M]+ 244.10538 151.2
[M]- 244.10648 151.2
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