CID 20706

2-phenylthiazolidine

Structural Information

Molecular Formula
C9H11NS
SMILES
C1CSC(N1)C2=CC=CC=C2
InChI
InChI=1S/C9H11NS/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5,9-10H,6-7H2
InChIKey
NXOMVTLTYYYYPC-UHFFFAOYSA-N
Compound name
2-phenyl-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

97
Patents

165.06122 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.06850 133.7
[M+Na]+ 188.05044 145.6
[M+NH4]+ 183.09504 144.0
[M+K]+ 204.02438 138.2
[M-H]- 164.05394 137.6
[M+Na-2H]- 186.03589 141.1
[M]+ 165.06067 136.9
[M]- 165.06177 136.9
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