CID 90659903

Chebi:84913

Structural Information

Molecular Formula
C7H11N3O5
SMILES
C([C@@H](C(=O)O)NC(=O)[C@H]1[C@@H](O1)C(=O)N)N
InChI
InChI=1S/C7H11N3O5/c8-1-2(7(13)14)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
NEROFFUGAIRXGM-PZGQECOJSA-N
Compound name
(2S)-3-amino-2-[[(2R,3R)-3-carbamoyloxirane-2-carbonyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
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 142.1
[M+Na]+ 240.05909 148.7
[M-H]- 216.06259 145.4
[M+NH4]+ 235.10369 152.2
[M+K]+ 256.03303 147.3
[M+H-H2O]+ 200.06713 135.5
[M+HCOO]- 262.06807 162.9
[M+CH3COO]- 276.08372 195.5
[M+Na-2H]- 238.04454 143.3
[M]+ 217.06932 142.8
[M]- 217.07042 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.