CID 2867731

Ethyl 1-(pyrazin-2-yl)piperidine-4-carboxylate

Structural Information

Molecular Formula
C12H17N3O2
SMILES
CCOC(=O)C1CCN(CC1)C2=NC=CN=C2
InChI
InChI=1S/C12H17N3O2/c1-2-17-12(16)10-3-7-15(8-4-10)11-9-13-5-6-14-11/h5-6,9-10H,2-4,7-8H2,1H3
InChIKey
QYHCUDIPSWPYON-UHFFFAOYSA-N
Compound name
ethyl 1-pyrazin-2-ylpiperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

235.13208 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.13936 154.8
[M+Na]+ 258.12130 160.0
[M-H]- 234.12480 156.3
[M+NH4]+ 253.16590 167.8
[M+K]+ 274.09524 157.6
[M+H-H2O]+ 218.12934 144.8
[M+HCOO]- 280.13028 171.0
[M+CH3COO]- 294.14593 189.8
[M+Na-2H]- 256.10675 159.0
[M]+ 235.13153 152.1
[M]- 235.13263 152.1
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