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]+ 215.10263 145.2
[M+Na]+ 237.08457 152.1
[M-H]- 213.08807 144.6
[M+NH4]+ 232.12917 160.6
[M+K]+ 253.05851 151.1
[M+H-H2O]+ 197.09261 138.7
[M+HCOO]- 259.09355 160.8
[M+CH3COO]- 273.10920 186.4
[M+Na-2H]- 235.07002 145.7
[M]+ 214.09480 143.7
[M]- 214.09590 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.