CID 132342287

2137568-66-0

Structural Information

Molecular Formula
C10H13N3O4
SMILES
CN1[C@@H]([C@H](OCC1=O)C(=O)O)C2=CC=NN2C
InChI
InChI=1S/C10H13N3O4/c1-12-7(14)5-17-9(10(15)16)8(12)6-3-4-11-13(6)2/h3-4,8-9H,5H2,1-2H3,(H,15,16)/t8-,9+/m1/s1
InChIKey
KSYIFHSVKKGXKW-BDAKNGLRSA-N
Compound name
(2S,3R)-4-methyl-3-(2-methylpyrazol-3-yl)-5-oxomorpholine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.0906 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.097876 151.9
[M+Na]+ 262.079818 160.5
[M-H]- 238.083324 154.5
[M+NH4]+ 257.124423 165.4
[M+K]+ 278.053758 159.3
[M+H-H2O]+ 222.087860 144.1
[M+HCOO]- 284.088801 167.8
[M+CH3COO]- 298.104451 189.2
[M+Na-2H]- 260.065266 152.7
[M]+ 239.09005142 151.7
[M]- 239.09114858 151.7
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.