CID 10130637

3-hydroxy-2-[(4-hydroxypyrrolidin-2-yl)formamido]propanoic acid hydrochloride

Structural Information

Molecular Formula
C8H14N2O5
SMILES
C1C(CNC1C(=O)NC(CO)C(=O)O)O
InChI
InChI=1S/C8H14N2O5/c11-3-6(8(14)15)10-7(13)5-1-4(12)2-9-5/h4-6,9,11-12H,1-3H2,(H,10,13)(H,14,15)
InChIKey
UVSBYUFDCGZIMR-UHFFFAOYSA-N
Compound name
3-hydroxy-2-[(4-hydroxypyrrolidine-2-carbonyl)amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.09027 Da
Monoisotopic Mass

-4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.097546 147.7
[M+Na]+ 241.079488 150.9
[M-H]- 217.082994 144.0
[M+NH4]+ 236.124093 162.8
[M+K]+ 257.053428 149.4
[M+H-H2O]+ 201.087530 141.6
[M+HCOO]- 263.088471 162.4
[M+CH3COO]- 277.104121 179.2
[M+Na-2H]- 239.064936 146.4
[M]+ 218.08972142 141.3
[M]- 218.09081858 141.3
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

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