CID 6474280

2-(2-phenylvinyl)-1,3-thiazoline

Structural Information

Molecular Formula
C11H11NS
SMILES
C1CSC(=N1)/C=C\C2=CC=CC=C2
InChI
InChI=1S/C11H11NS/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11/h1-7H,8-9H2/b7-6-
InChIKey
BHXRULBFMDQOMX-SREVYHEPSA-N
Compound name
2-[(Z)-2-phenylethenyl]-4,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.06122 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.06850 140.0
[M+Na]+ 212.05044 148.3
[M-H]- 188.05394 145.6
[M+NH4]+ 207.09504 160.7
[M+K]+ 228.02438 144.2
[M+H-H2O]+ 172.05848 133.3
[M+HCOO]- 234.05942 158.9
[M+CH3COO]- 248.07507 153.3
[M+Na-2H]- 210.03589 142.7
[M]+ 189.06067 139.7
[M]- 189.06177 139.7
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.