CID 11321969

Tt zwitterion

Structural Information

Molecular Formula
C8H16N2O5
SMILES
C[C@H]([C@@H](C(=O)N[C@@H]([C@@H](C)O)C(=O)O)N)O
InChI
InChI=1S/C8H16N2O5/c1-3(11)5(9)7(13)10-6(4(2)12)8(14)15/h3-6,11-12H,9H2,1-2H3,(H,10,13)(H,14,15)/t3-,4-,5+,6+/m1/s1
InChIKey
DSGIVWSDDRDJIO-ZXXMMSQZSA-N
Compound name
(2S,3R)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-hydroxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10139
Patents

220.10593 Da
Monoisotopic Mass

-4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.11321 150.8
[M+Na]+ 243.09515 153.1
[M-H]- 219.09865 146.1
[M+NH4]+ 238.13975 165.3
[M+K]+ 259.06909 154.0
[M+H-H2O]+ 203.10319 145.1
[M+HCOO]- 265.10413 166.3
[M+CH3COO]- 279.11978 189.2
[M+Na-2H]- 241.08060 146.9
[M]+ 220.10538 146.1
[M]- 220.10648 146.1
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.