CID 151148

3790-51-0

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

19
References

10014
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 140.2
[M+Na]+ 213.04820 144.1
[M+NH4]+ 208.09280 143.3
[M+K]+ 229.02214 144.5
[M-H]- 189.05170 135.6
[M+Na-2H]- 211.03365 138.7
[M]+ 190.05843 138.4
[M]- 190.05953 138.4
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