CID 20955815

2-(4-cyclohexyl-2,3-dioxopiperazin-1-yl)butanoic acid

Structural Information

Molecular Formula
C14H22N2O4
SMILES
CCC(C(=O)O)N1CCN(C(=O)C1=O)C2CCCCC2
InChI
InChI=1S/C14H22N2O4/c1-2-11(14(19)20)16-9-8-15(12(17)13(16)18)10-6-4-3-5-7-10/h10-11H,2-9H2,1H3,(H,19,20)
InChIKey
HYYOLHPPDRFGFG-UHFFFAOYSA-N
Compound name
2-(4-cyclohexyl-2,3-dioxopiperazin-1-yl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.15796 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.16524 166.9
[M+Na]+ 305.14718 174.8
[M+NH4]+ 300.19178 171.7
[M+K]+ 321.12112 171.3
[M-H]- 281.15068 166.5
[M+Na-2H]- 303.13263 168.1
[M]+ 282.15741 167.2
[M]- 282.15851 167.2
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

No patent data available for this compound.