CID 361858

N,n'-(1,5-dioxo-1,5-pentanediyl)bisglycine

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
1
Annotation Hits

0
References

15
Patents

246.08519 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.09247 154.7
[M+Na]+ 269.07441 157.8
[M+NH4]+ 264.11901 156.6
[M+K]+ 285.04835 157.8
[M-H]- 245.07791 149.3
[M+Na-2H]- 267.05986 152.4
[M]+ 246.08464 152.5
[M]- 246.08574 152.5
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

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