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 151.9
[M+Na]+ 255.09515 155.9
[M-H]- 231.09865 149.4
[M+NH4]+ 250.13975 167.1
[M+K]+ 271.06909 155.2
[M+H-H2O]+ 215.10319 146.1
[M+HCOO]- 277.10413 166.2
[M+CH3COO]- 291.11978 186.3
[M+Na-2H]- 253.08060 147.7
[M]+ 232.10538 146.6
[M]- 232.10648 146.6
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.