CID 202678

Thiazole, 4,5-dihydro-2-(4-methylphenyl)-

Structural Information

Molecular Formula
C10H11NS
SMILES
CC1=CC=C(C=C1)C2=NCCS2
InChI
InChI=1S/C10H11NS/c1-8-2-4-9(5-3-8)10-11-6-7-12-10/h2-5H,6-7H2,1H3
InChIKey
YBLAKEAPIRPHCW-UHFFFAOYSA-N
Compound name
2-(4-methylphenyl)-4,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

177.06122 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.06850 135.7
[M+Na]+ 200.05044 144.8
[M-H]- 176.05394 141.7
[M+NH4]+ 195.09504 157.2
[M+K]+ 216.02438 141.6
[M+H-H2O]+ 160.05848 129.3
[M+HCOO]- 222.05942 154.6
[M+CH3COO]- 236.07507 149.7
[M+Na-2H]- 198.03589 138.2
[M]+ 177.06067 136.2
[M]- 177.06177 136.2
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

patents stripe