CID 470921

Piperidyl pyrazin-2-yl ketone

Structural Information

Molecular Formula
C10H13N3O
SMILES
C1CCN(CC1)C(=O)C2=NC=CN=C2
InChI
InChI=1S/C10H13N3O/c14-10(9-8-11-4-5-12-9)13-6-2-1-3-7-13/h4-5,8H,1-3,6-7H2
InChIKey
FKTMADJJKGNCPV-UHFFFAOYSA-N
Compound name
piperidin-1-yl(pyrazin-2-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

191.10587 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.11315 142.8
[M+Na]+ 214.09509 148.1
[M-H]- 190.09859 144.3
[M+NH4]+ 209.13969 157.4
[M+K]+ 230.06903 145.6
[M+H-H2O]+ 174.10313 133.2
[M+HCOO]- 236.10407 159.5
[M+CH3COO]- 250.11972 180.7
[M+Na-2H]- 212.08054 148.8
[M]+ 191.10532 137.6
[M]- 191.10642 137.6
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.