CID 54027404

St zwitterion

Structural Information

Molecular Formula
C7H14N2O5
SMILES
C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CO)N)O
InChI
InChI=1S/C7H14N2O5/c1-3(11)5(7(13)14)9-6(12)4(8)2-10/h3-5,10-11H,2,8H2,1H3,(H,9,12)(H,13,14)/t3-,4+,5+/m1/s1
InChIKey
LDEBVRIURYMKQS-WISUUJSJSA-N
Compound name
(2S,3R)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7077
Patents

206.09027 Da
Monoisotopic Mass

-4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.09755 145.7
[M+Na]+ 229.07949 148.5
[M+NH4]+ 224.12409 148.4
[M+K]+ 245.05343 149.9
[M-H]- 205.08299 140.6
[M+Na-2H]- 227.06494 143.1
[M]+ 206.08972 143.6
[M]- 206.09082 143.6
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