CID 5704059

3-(dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one

Structural Information

Molecular Formula
C9H12N2OS
SMILES
CC1=NC(=CS1)C(=O)/C=C/N(C)C
InChI
InChI=1S/C9H12N2OS/c1-7-10-8(6-13-7)9(12)4-5-11(2)3/h4-6H,1-3H3/b5-4+
InChIKey
OCQUCYROGYMXCZ-SNAWJCMRSA-N
Compound name
(E)-3-(dimethylamino)-1-(2-methyl-1,3-thiazol-4-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

196.06703 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.074306 143.2
[M+Na]+ 219.056248 151.4
[M-H]- 195.059754 147.4
[M+NH4]+ 214.100853 164.2
[M+K]+ 235.030188 149.9
[M+H-H2O]+ 179.064290 136.6
[M+HCOO]- 241.065231 162.9
[M+CH3COO]- 255.080881 187.7
[M+Na-2H]- 217.041696 143.5
[M]+ 196.06648142 146.8
[M]- 196.06757858 146.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.