CID 15168777

N,n'-(1,7-dioxo-1,7-heptanediyl)bisglycine

Structural Information

Molecular Formula
C11H18N2O6
SMILES
C(CCC(=O)NCC(=O)O)CCC(=O)NCC(=O)O
InChI
InChI=1S/C11H18N2O6/c14-8(12-6-10(16)17)4-2-1-3-5-9(15)13-7-11(18)19/h1-7H2,(H,12,14)(H,13,15)(H,16,17)(H,18,19)
InChIKey
STYJBHBBSARMBR-UHFFFAOYSA-N
Compound name
2-[[7-(carboxymethylamino)-7-oxoheptanoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.1165 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.12378 163.1
[M+Na]+ 297.10572 165.8
[M+NH4]+ 292.15032 164.6
[M+K]+ 313.07966 165.4
[M-H]- 273.10922 157.7
[M+Na-2H]- 295.09117 160.3
[M]+ 274.11595 160.8
[M]- 274.11705 160.8
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.