CID 20955814

951547-33-4

Structural Information

Molecular Formula
C9H14N2O4
SMILES
CCC(C(=O)O)N1CCN(C(=O)C1=O)C
InChI
InChI=1S/C9H14N2O4/c1-3-6(9(14)15)11-5-4-10(2)7(12)8(11)13/h6H,3-5H2,1-2H3,(H,14,15)
InChIKey
DCTLQHKAYGJQTL-UHFFFAOYSA-N
Compound name
2-(4-methyl-2,3-dioxopiperazin-1-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.09535 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.102626 145.2
[M+Na]+ 237.084568 152.1
[M-H]- 213.088074 144.6
[M+NH4]+ 232.129173 160.6
[M+K]+ 253.058508 151.1
[M+H-H2O]+ 197.092610 138.7
[M+HCOO]- 259.093551 160.8
[M+CH3COO]- 273.109201 186.4
[M+Na-2H]- 235.070016 145.7
[M]+ 214.09480142 143.7
[M]- 214.09589858 143.7
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.