CID 97363

Glycyl-l-aspartic acid

Structural Information

Molecular Formula
C6H10N2O5
SMILES
C([C@@H](C(=O)O)NC(=O)CN)C(=O)O
InChI
InChI=1S/C6H10N2O5/c7-2-4(9)8-3(6(12)13)1-5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-/m0/s1
InChIKey
SCCPDJAQCXWPTF-VKHMYHEASA-N
Compound name
(2S)-2-[(2-aminoacetyl)amino]butanedioic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

14
References

6485
Patents

190.05898 Da
Monoisotopic Mass

-4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.066256 139.2
[M+Na]+ 213.048198 143.5
[M-H]- 189.051704 136.1
[M+NH4]+ 208.092803 155.7
[M+K]+ 229.022138 143.8
[M+H-H2O]+ 173.056240 133.5
[M+HCOO]- 235.057181 159.1
[M+CH3COO]- 249.072831 182.3
[M+Na-2H]- 211.033646 139.5
[M]+ 190.05843142 136.3
[M]- 190.05952858 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