CID 302430

Beta-asp-gly

Structural Information

Molecular Formula
C6H10N2O5
SMILES
C(C(C(=O)O)N)C(=O)NCC(=O)O
InChI
InChI=1S/C6H10N2O5/c7-3(6(12)13)1-4(9)8-2-5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)(H,12,13)
InChIKey
ZTEDWFWBGPKUOD-UHFFFAOYSA-N
Compound name
2-amino-4-(carboxymethylamino)-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

26
References

218
Patents

190.05898 Da
Monoisotopic Mass

-4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.06626 139.2
[M+Na]+ 213.04820 143.5
[M-H]- 189.05170 136.1
[M+NH4]+ 208.09280 155.7
[M+K]+ 229.02214 143.8
[M+H-H2O]+ 173.05624 133.5
[M+HCOO]- 235.05718 159.1
[M+CH3COO]- 249.07283 182.3
[M+Na-2H]- 211.03365 139.5
[M]+ 190.05843 136.3
[M]- 190.05953 136.3
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