CID 15168778

Glycine, n,n'-(1,8-dioxo-1,8-octanediyl)bis-

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

1
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

patents stripe