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

10150
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.