CID 6447465

75606-52-9

Structural Information

Molecular Formula
C14H19NS
SMILES
CC1(NCCS1)CC/C=C/C2=CC=CC=C2
InChI
InChI=1S/C14H19NS/c1-14(15-11-12-16-14)10-6-5-9-13-7-3-2-4-8-13/h2-5,7-9,15H,6,10-12H2,1H3/b9-5+
InChIKey
UCWCWAWPOSCQBH-WEVVVXLNSA-N
Compound name
2-methyl-2-[(E)-4-phenylbut-3-enyl]-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.12383 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.13111 154.6
[M+Na]+ 256.11305 160.7
[M-H]- 232.11655 158.0
[M+NH4]+ 251.15765 174.6
[M+K]+ 272.08699 155.5
[M+H-H2O]+ 216.12109 148.1
[M+HCOO]- 278.12203 169.5
[M+CH3COO]- 292.13768 165.7
[M+Na-2H]- 254.09850 155.7
[M]+ 233.12328 152.3
[M]- 233.12438 152.3
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.