CID 3050855

2-(2-methylphenyl)-1,3-thiazolidine

Structural Information

Molecular Formula
C10H13NS
SMILES
CC1=CC=CC=C1C2NCCS2
InChI
InChI=1S/C10H13NS/c1-8-4-2-3-5-9(8)10-11-6-7-12-10/h2-5,10-11H,6-7H2,1H3
InChIKey
PMTWCGRBSWYLPK-UHFFFAOYSA-N
Compound name
2-(2-methylphenyl)-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

179.07687 Da
Monoisotopic Mass

2.2
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

literature stripe

Patent stripe

patents stripe