CID 3050894

67189-34-8

Structural Information

Molecular Formula
C12H17NS
SMILES
CC1=CC(=CC=C1)C2(N(CCS2)C)C
InChI
InChI=1S/C12H17NS/c1-10-5-4-6-11(9-10)12(2)13(3)7-8-14-12/h4-6,9H,7-8H2,1-3H3
InChIKey
QCDIOSLGJHGMPD-UHFFFAOYSA-N
Compound name
2,3-dimethyl-2-(3-methylphenyl)-1,3-thiazolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.10817 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.115446 144.5
[M+Na]+ 230.097388 153.4
[M-H]- 206.100894 150.5
[M+NH4]+ 225.141993 167.1
[M+K]+ 246.071328 150.2
[M+H-H2O]+ 190.105430 138.7
[M+HCOO]- 252.106371 161.4
[M+CH3COO]- 266.122021 157.9
[M+Na-2H]- 228.082836 145.9
[M]+ 207.10762142 145.0
[M]- 207.10871858 145.0
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.