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]+ 240.09788 151.9
[M+Na]+ 262.07982 160.5
[M-H]- 238.08332 154.5
[M+NH4]+ 257.12442 165.4
[M+K]+ 278.05376 159.3
[M+H-H2O]+ 222.08786 144.1
[M+HCOO]- 284.08880 167.8
[M+CH3COO]- 298.10445 189.2
[M+Na-2H]- 260.06527 152.7
[M]+ 239.09005 151.7
[M]- 239.09115 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.