CID 15168778

N,n'-(1,8-dioxo-1,8-octanediyl)bisglycine

Structural Information

Molecular Formula
C12H20N2O6
SMILES
C(CCCC(=O)NCC(=O)O)CCC(=O)NCC(=O)O
InChI
InChI=1S/C12H20N2O6/c15-9(13-7-11(17)18)5-3-1-2-4-6-10(16)14-8-12(19)20/h1-8H2,(H,13,15)(H,14,16)(H,17,18)(H,19,20)
InChIKey
QHGMHKBBZONBCP-UHFFFAOYSA-N
Compound name
2-[[8-(carboxymethylamino)-8-oxooctanoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.13214 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.13942 166.4
[M+Na]+ 311.12136 168.4
[M-H]- 287.12486 162.8
[M+NH4]+ 306.16596 179.2
[M+K]+ 327.09530 167.7
[M+H-H2O]+ 271.12940 159.5
[M+HCOO]- 333.13034 185.4
[M+CH3COO]- 347.14599 201.5
[M+Na-2H]- 309.10681 165.1
[M]+ 288.13159 167.4
[M]- 288.13269 167.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.