CID 125511477

2307782-97-2

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 151.5
[M+Na]+ 262.07982 160.9
[M-H]- 238.08332 153.1
[M+NH4]+ 257.12442 167.7
[M+K]+ 278.05376 158.5
[M+H-H2O]+ 222.08786 144.8
[M+HCOO]- 284.08880 169.0
[M+CH3COO]- 298.10445 187.9
[M+Na-2H]- 260.06527 149.1
[M]+ 239.09005 151.4
[M]- 239.09115 151.4
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.