CID 140079421

Threonylhydroxyproline

Structural Information

Molecular Formula
C9H16N2O5
SMILES
C[C@H]([C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)O)O)N)O
InChI
InChI=1S/C9H16N2O5/c1-4(12)7(10)8(14)11-3-5(13)2-6(11)9(15)16/h4-7,12-13H,2-3,10H2,1H3,(H,15,16)/t4-,5-,6+,7+/m1/s1
InChIKey
LARRWQRLUSYTHC-JWXFUTCRSA-N
Compound name
(2S,4R)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.10593 Da
Monoisotopic Mass

-4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.11321 151.8
[M+Na]+ 255.09515 155.3
[M+NH4]+ 250.13975 154.8
[M+K]+ 271.06909 158.0
[M-H]- 231.09865 147.5
[M+Na-2H]- 253.08060 149.3
[M]+ 232.10538 150.0
[M]- 232.10648 150.0
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.