CID 115345796

3-(dimethylamino)-1-(pyrazin-2-yl)propan-1-one hydrochloride

Structural Information

Molecular Formula
C9H13N3O
SMILES
CN(C)CCC(=O)C1=NC=CN=C1
InChI
InChI=1S/C9H13N3O/c1-12(2)6-3-9(13)8-7-10-4-5-11-8/h4-5,7H,3,6H2,1-2H3
InChIKey
LXESOKTVCPZNBB-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-1-pyrazin-2-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.10587 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.11315 138.9
[M+Na]+ 202.09509 150.5
[M+NH4]+ 197.13969 146.1
[M+K]+ 218.06903 145.1
[M-H]- 178.09859 140.1
[M+Na-2H]- 200.08054 145.7
[M]+ 179.10532 140.6
[M]- 179.10642 140.6
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.