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 162.0
[M+Na]+ 297.10572 164.3
[M-H]- 273.10922 158.5
[M+NH4]+ 292.15032 175.3
[M+K]+ 313.07966 163.9
[M+H-H2O]+ 257.11376 155.2
[M+HCOO]- 319.11470 181.3
[M+CH3COO]- 333.13035 198.6
[M+Na-2H]- 295.09117 161.1
[M]+ 274.11595 162.6
[M]- 274.11705 162.6
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.