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 152.5
[M+Na]+ 262.07982 161.8
[M+NH4]+ 257.12442 157.2
[M+K]+ 278.05376 161.4
[M-H]- 238.08332 152.6
[M+Na-2H]- 260.06527 154.9
[M]+ 239.09005 153.3
[M]- 239.09115 153.3
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