CID 100958627

N-3-(r,r)-epoxysuccinamoyl-(s)-2,3-diaminopropanoate

Structural Information

Molecular Formula
C7H11N3O5
SMILES
C([C@@H](C(=O)O)N)NC(=O)[C@H]1[C@@H](O1)C(=O)N
InChI
InChI=1S/C7H11N3O5/c8-2(7(13)14)1-10-6(12)4-3(15-4)5(9)11/h2-4H,1,8H2,(H2,9,11)(H,10,12)(H,13,14)/t2-,3+,4+/m0/s1
InChIKey
LQRXQGMIBGPNBY-PZGQECOJSA-N
Compound name
(2S)-2-amino-3-[[(2R,3R)-3-carbamoyloxirane-2-carbonyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

217.06987 Da
Monoisotopic Mass

-5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.077146 142.1
[M+Na]+ 240.059088 148.7
[M-H]- 216.062594 145.4
[M+NH4]+ 235.103693 152.2
[M+K]+ 256.033028 147.3
[M+H-H2O]+ 200.067130 135.5
[M+HCOO]- 262.068071 162.9
[M+CH3COO]- 276.083721 195.5
[M+Na-2H]- 238.044536 143.3
[M]+ 217.06932142 142.8
[M]- 217.07041858 142.8
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.