CID 576329

5-methyl-2-phenylthiazolidine

Structural Information

Molecular Formula
C10H13NS
SMILES
CC1CNC(S1)C2=CC=CC=C2
InChI
InChI=1S/C10H13NS/c1-8-7-11-10(12-8)9-5-3-2-4-6-9/h2-6,8,10-11H,7H2,1H3
InChIKey
JVDCXKVDPAQDMX-UHFFFAOYSA-N
Compound name
5-methyl-2-phenyl-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.07687 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.084146 137.6
[M+Na]+ 202.066088 145.2
[M-H]- 178.069594 141.8
[M+NH4]+ 197.110693 158.2
[M+K]+ 218.040028 141.3
[M+H-H2O]+ 162.074130 131.5
[M+HCOO]- 224.075071 153.6
[M+CH3COO]- 238.090721 150.4
[M+Na-2H]- 200.051536 138.8
[M]+ 179.07632142 134.8
[M]- 179.07741858 134.8
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.