CID 7174541

1004727-34-7

Structural Information

Molecular Formula
C10H13N3O4
SMILES
CN1C(=CC(=N1)C(=O)N2CCOCC2)C(=O)O
InChI
InChI=1S/C10H13N3O4/c1-12-8(10(15)16)6-7(11-12)9(14)13-2-4-17-5-3-13/h6H,2-5H2,1H3,(H,15,16)
InChIKey
HLHCCAFKPMFFNQ-UHFFFAOYSA-N
Compound name
1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

239.0906 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.097876 152.0
[M+Na]+ 262.079818 158.4
[M-H]- 238.083324 153.9
[M+NH4]+ 257.124423 164.8
[M+K]+ 278.053758 157.8
[M+H-H2O]+ 222.087860 143.6
[M+HCOO]- 284.088801 166.9
[M+CH3COO]- 298.104451 187.0
[M+Na-2H]- 260.065266 153.0
[M]+ 239.09005142 150.2
[M]- 239.09114858 150.2
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

patents stripe