CID 361858

Glycine, n,n'-(1,5-dioxo-1,5-pentanediyl)bis-

Structural Information

Molecular Formula
C9H14N2O6
SMILES
C(CC(=O)NCC(=O)O)CC(=O)NCC(=O)O
InChI
InChI=1S/C9H14N2O6/c12-6(10-4-8(14)15)2-1-3-7(13)11-5-9(16)17/h1-5H2,(H,10,12)(H,11,13)(H,14,15)(H,16,17)
InChIKey
WOACFZHTODURQC-UHFFFAOYSA-N
Compound name
2-[[5-(carboxymethylamino)-5-oxopentanoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

19
Patents

246.08519 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.092466 153.0
[M+Na]+ 269.074408 156.2
[M-H]- 245.077914 149.9
[M+NH4]+ 264.119013 167.5
[M+K]+ 285.048348 156.2
[M+H-H2O]+ 229.082450 146.6
[M+HCOO]- 291.083391 173.0
[M+CH3COO]- 305.099041 192.6
[M+Na-2H]- 267.059856 153.1
[M]+ 246.08464142 152.9
[M]- 246.08573858 152.9
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