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

27
Patents

223.13208 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.13936 152.1
[M+Na]+ 246.12130 157.2
[M-H]- 222.12480 152.6
[M+NH4]+ 241.16590 166.8
[M+K]+ 262.09524 154.6
[M+H-H2O]+ 206.12934 143.0
[M+HCOO]- 268.13028 168.0
[M+CH3COO]- 282.14593 184.2
[M+Na-2H]- 244.10675 153.6
[M]+ 223.13153 148.0
[M]- 223.13263 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