CID 59261059

Ethyl 1-(piperidin-4-yl)-1h-pyrazole-4-carboxylate hydrochloride

Structural Information

Molecular Formula
C11H17N3O2
SMILES
CCOC(=O)C1=CN(N=C1)C2CCNCC2
InChI
InChI=1S/C11H17N3O2/c1-2-16-11(15)9-7-13-14(8-9)10-3-5-12-6-4-10/h7-8,10,12H,2-6H2,1H3
InChIKey
ULRIRQFXUZMGLV-UHFFFAOYSA-N
Compound name
ethyl 1-piperidin-4-ylpyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

223.13208 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.139356 152.1
[M+Na]+ 246.121298 157.2
[M-H]- 222.124804 152.6
[M+NH4]+ 241.165903 166.8
[M+K]+ 262.095238 154.6
[M+H-H2O]+ 206.129340 143.0
[M+HCOO]- 268.130281 168.0
[M+CH3COO]- 282.145931 184.2
[M+Na-2H]- 244.106746 153.6
[M]+ 223.13153142 148.0
[M]- 223.13262858 148.0
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