CID 20955815

951464-86-1

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]+ 283.165236 166.5
[M+Na]+ 305.147178 169.2
[M-H]- 281.150684 167.4
[M+NH4]+ 300.191783 178.1
[M+K]+ 321.121118 167.0
[M+H-H2O]+ 265.155220 158.1
[M+HCOO]- 327.156161 177.3
[M+CH3COO]- 341.171811 198.5
[M+Na-2H]- 303.132626 163.9
[M]+ 282.15741142 159.8
[M]- 282.15850858 159.8
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.