CID 125511477

(2s,3r,4r)-4-hydroxy-1-methyl-2-(1-methyl-1h-pyrazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C10H13N3O4
SMILES
CN1C=C(C=N1)[C@@H]2[C@H]([C@H](C(=O)N2C)O)C(=O)O
InChI
InChI=1S/C10H13N3O4/c1-12-4-5(3-11-12)7-6(10(16)17)8(14)9(15)13(7)2/h3-4,6-8,14H,1-2H3,(H,16,17)/t6-,7-,8-/m1/s1
InChIKey
OQYCOJCEEFUMGM-BWZBUEFSSA-N
Compound name
(2S,3R,4R)-4-hydroxy-1-methyl-2-(1-methylpyrazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.0906 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.09788 153.8
[M+Na]+ 262.07982 162.4
[M+NH4]+ 257.12442 158.1
[M+K]+ 278.05376 164.0
[M-H]- 238.08332 151.8
[M+Na-2H]- 260.06527 154.8
[M]+ 239.09005 153.8
[M]- 239.09115 153.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.