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
2
Annotation Hits

2
References

107
Patents

165.06122 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.068496 133.3
[M+Na]+ 188.050438 140.5
[M-H]- 164.053944 137.3
[M+NH4]+ 183.095043 154.2
[M+K]+ 204.024378 136.8
[M+H-H2O]+ 148.058480 127.1
[M+HCOO]- 210.059421 149.6
[M+CH3COO]- 224.075071 146.1
[M+Na-2H]- 186.035886 135.7
[M]+ 165.06067142 129.8
[M]- 165.06176858 129.8
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

patents stripe