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
2-methyl-5-(morpholine-4-carbonyl)pyrazole-3-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]+ 240.09788 152.0
[M+Na]+ 262.07982 158.4
[M-H]- 238.08332 153.9
[M+NH4]+ 257.12442 164.8
[M+K]+ 278.05376 157.8
[M+H-H2O]+ 222.08786 143.6
[M+HCOO]- 284.08880 166.9
[M+CH3COO]- 298.10445 187.0
[M+Na-2H]- 260.06527 153.0
[M]+ 239.09005 150.2
[M]- 239.09115 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