CID 131546915

Methyl 1-(piperidin-3-yl)-1h-pyrazole-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C10H15N3O2
SMILES
COC(=O)C1=NN(C=C1)C2CCCNC2
InChI
InChI=1S/C10H15N3O2/c1-15-10(14)9-4-6-13(12-9)8-3-2-5-11-7-8/h4,6,8,11H,2-3,5,7H2,1H3
InChIKey
SRSDFUHCMVUJMZ-UHFFFAOYSA-N
Compound name
methyl 1-piperidin-3-ylpyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.11642 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.12370 147.7
[M+Na]+ 232.10564 153.2
[M-H]- 208.10914 148.3
[M+NH4]+ 227.15024 163.0
[M+K]+ 248.07958 150.9
[M+H-H2O]+ 192.11368 138.8
[M+HCOO]- 254.11462 163.9
[M+CH3COO]- 268.13027 181.2
[M+Na-2H]- 230.09109 149.7
[M]+ 209.11587 143.3
[M]- 209.11697 143.3
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

No patent data available for this compound.