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]+ 218.07715 146.3
[M+Na]+ 240.05909 151.8
[M+NH4]+ 235.10369 150.3
[M+K]+ 256.03303 154.0
[M-H]- 216.06259 152.3
[M+Na-2H]- 238.04454 148.0
[M]+ 217.06932 148.9
[M]- 217.07042 148.9
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.