CID 120797

773-55-7

Structural Information

Molecular Formula
C11H15NS
SMILES
CC1=CC=C(C=C1)C2(NCCS2)C
InChI
InChI=1S/C11H15NS/c1-9-3-5-10(6-4-9)11(2)12-7-8-13-11/h3-6,12H,7-8H2,1-2H3
InChIKey
GFMLJKIPRVCWSE-UHFFFAOYSA-N
Compound name
2-methyl-2-(4-methylphenyl)-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.09251 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09979 141.4
[M+Na]+ 216.08173 149.4
[M-H]- 192.08523 145.7
[M+NH4]+ 211.12633 163.5
[M+K]+ 232.05567 145.5
[M+H-H2O]+ 176.08977 135.8
[M+HCOO]- 238.09071 157.1
[M+CH3COO]- 252.10636 154.2
[M+Na-2H]- 214.06718 143.5
[M]+ 193.09196 139.3
[M]- 193.09306 139.3
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.