CID 61158058

Hydroxyprolyl-threonine

Structural Information

Molecular Formula
C9H16N2O5
SMILES
CC(C(C(=O)O)NC(=O)C1CC(CN1)O)O
InChI
InChI=1S/C9H16N2O5/c1-4(12)7(9(15)16)11-8(14)6-2-5(13)3-10-6/h4-7,10,12-13H,2-3H2,1H3,(H,11,14)(H,15,16)
InChIKey
HBWOJLKKRRLNRN-UHFFFAOYSA-N
Compound name
3-hydroxy-2-[(4-hydroxypyrrolidine-2-carbonyl)amino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.10593 Da
Monoisotopic Mass

-4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.11321 152.4
[M+Na]+ 255.09515 155.0
[M-H]- 231.09865 148.7
[M+NH4]+ 250.13975 166.9
[M+K]+ 271.06909 153.9
[M+H-H2O]+ 215.10319 146.4
[M+HCOO]- 277.10413 165.8
[M+CH3COO]- 291.11978 183.3
[M+Na-2H]- 253.08060 149.4
[M]+ 232.10538 145.8
[M]- 232.10648 145.8
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

No patent data available for this compound.