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]+ 208.11545 144.5
[M+Na]+ 230.09739 153.4
[M-H]- 206.10089 150.5
[M+NH4]+ 225.14199 167.1
[M+K]+ 246.07133 150.2
[M+H-H2O]+ 190.10543 138.7
[M+HCOO]- 252.10637 161.4
[M+CH3COO]- 266.12202 157.9
[M+Na-2H]- 228.08284 145.9
[M]+ 207.10762 145.0
[M]- 207.10872 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.