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 139.9
[M+Na]+ 207.05625 147.4
[M-H]- 183.05975 143.9
[M+NH4]+ 202.10085 161.1
[M+K]+ 223.03019 146.7
[M+H-H2O]+ 167.06429 133.1
[M+HCOO]- 229.06523 159.8
[M+CH3COO]- 243.08088 185.1
[M+Na-2H]- 205.04170 141.4
[M]+ 184.06648 143.6
[M]- 184.06758 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.