CID 83409075

1-methyl-3-(piperidin-4-yl)-1h-pyrazole-5-carboxylic acid dihydrochloride

Structural Information

Molecular Formula
C10H15N3O2
SMILES
CN1C(=CC(=N1)C2CCNCC2)C(=O)O
InChI
InChI=1S/C10H15N3O2/c1-13-9(10(14)15)6-8(12-13)7-2-4-11-5-3-7/h6-7,11H,2-5H2,1H3,(H,14,15)
InChIKey
IRBDWSXOWUJPDN-UHFFFAOYSA-N
Compound name
1-methyl-3-piperidin-4-ylpyrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.11642 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.123696 148.2
[M+Na]+ 232.105638 154.3
[M-H]- 208.109144 147.9
[M+NH4]+ 227.150243 163.1
[M+K]+ 248.079578 151.0
[M+H-H2O]+ 192.113680 140.0
[M+HCOO]- 254.114621 163.0
[M+CH3COO]- 268.130271 180.6
[M+Na-2H]- 230.091086 149.1
[M]+ 209.11587142 142.5
[M]- 209.11696858 142.5
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.