CID 11321969

Thr-thr

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
1
Annotation Hits

0
References

10147
Patents

220.10593 Da
Monoisotopic Mass

-4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.113206 150.8
[M+Na]+ 243.095148 153.1
[M-H]- 219.098654 146.1
[M+NH4]+ 238.139753 165.3
[M+K]+ 259.069088 154.0
[M+H-H2O]+ 203.103190 145.1
[M+HCOO]- 265.104131 166.3
[M+CH3COO]- 279.119781 189.2
[M+Na-2H]- 241.080596 146.9
[M]+ 220.10538142 146.1
[M]- 220.10647858 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

literature stripe

Patent stripe

patents stripe