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]+ 185.074306 139.9
[M+Na]+ 207.056248 147.4
[M-H]- 183.059754 143.9
[M+NH4]+ 202.100853 161.1
[M+K]+ 223.030188 146.7
[M+H-H2O]+ 167.064290 133.1
[M+HCOO]- 229.065231 159.8
[M+CH3COO]- 243.080881 185.1
[M+Na-2H]- 205.041696 141.4
[M]+ 184.06648142 143.6
[M]- 184.06757858 143.6
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.