CID 214600

1-propanone, 3-(dimethylamino)-1-(2-thiazolyl)-, hydrochloride

Structural Information

Molecular Formula
C8H12N2OS
SMILES
CN(C)CCC(=O)C1=NC=CS1
InChI
InChI=1S/C8H12N2OS/c1-10(2)5-3-7(11)8-9-4-6-12-8/h4,6H,3,5H2,1-2H3
InChIKey
FKVIRUSZMKKJCG-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-1-(1,3-thiazol-2-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.06703 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.07431 140.5
[M+Na]+ 207.05625 149.9
[M+NH4]+ 202.10085 148.7
[M+K]+ 223.03019 144.5
[M-H]- 183.05975 141.9
[M+Na-2H]- 205.04170 145.1
[M]+ 184.06648 142.4
[M]- 184.06758 142.4
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.