CID 14954082

Succinylglycine

Structural Information

Molecular Formula
C6H9NO5
SMILES
C(CC(=O)O)C(=O)NCC(=O)O
InChI
InChI=1S/C6H9NO5/c8-4(1-2-5(9)10)7-3-6(11)12/h1-3H2,(H,7,8)(H,9,10)(H,11,12)
InChIKey
HQESMQVYRAJTEA-UHFFFAOYSA-N
Compound name
4-(carboxymethylamino)-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

342
Patents

175.04807 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.055346 134.8
[M+Na]+ 198.037288 140.2
[M-H]- 174.040794 132.3
[M+NH4]+ 193.081893 152.7
[M+K]+ 214.011228 140.2
[M+H-H2O]+ 158.045330 129.7
[M+HCOO]- 220.046271 155.3
[M+CH3COO]- 234.061921 176.4
[M+Na-2H]- 196.022736 137.3
[M]+ 175.04752142 134.4
[M]- 175.04861858 134.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.