CID 62939070

3-(4-aminopiperidin-1-yl)-1-ethyl-1,2-dihydropyrazin-2-one

Structural Information

Molecular Formula
C11H18N4O
SMILES
CCN1C=CN=C(C1=O)N2CCC(CC2)N
InChI
InChI=1S/C11H18N4O/c1-2-14-8-5-13-10(11(14)16)15-6-3-9(12)4-7-15/h5,8-9H,2-4,6-7,12H2,1H3
InChIKey
GSFUWDCWXFKDNX-UHFFFAOYSA-N
Compound name
3-(4-aminopiperidin-1-yl)-1-ethylpyrazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.14806 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.15534 152.7
[M+Na]+ 245.13728 159.9
[M-H]- 221.14078 154.6
[M+NH4]+ 240.18188 166.5
[M+K]+ 261.11122 156.1
[M+H-H2O]+ 205.14532 143.3
[M+HCOO]- 267.14626 170.5
[M+CH3COO]- 281.16191 191.2
[M+Na-2H]- 243.12273 156.5
[M]+ 222.14751 148.2
[M]- 222.14861 148.2
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.