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

2
Patents

179.10587 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.113146 138.9
[M+Na]+ 202.095088 145.7
[M-H]- 178.098594 141.0
[M+NH4]+ 197.139693 156.4
[M+K]+ 218.069028 145.2
[M+H-H2O]+ 162.103130 130.8
[M+HCOO]- 224.104071 161.9
[M+CH3COO]- 238.119721 187.0
[M+Na-2H]- 200.080536 145.7
[M]+ 179.10532142 140.5
[M]- 179.10641858 140.5
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