CID 99296

56242-62-7

Structural Information

Molecular Formula
C11H14N2S
SMILES
CC1=CC(=C(C=C1)NC2=NCCS2)C
InChI
InChI=1S/C11H14N2S/c1-8-3-4-10(9(2)7-8)13-11-12-5-6-14-11/h3-4,7H,5-6H2,1-2H3,(H,12,13)
InChIKey
PMDCFIKMSPLBMG-UHFFFAOYSA-N
Compound name
N-(2,4-dimethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

3
Patents

206.08777 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.09505 143.9
[M+Na]+ 229.07699 152.6
[M-H]- 205.08049 150.0
[M+NH4]+ 224.12159 164.2
[M+K]+ 245.05093 148.8
[M+H-H2O]+ 189.08503 137.1
[M+HCOO]- 251.08597 163.4
[M+CH3COO]- 265.10162 157.3
[M+Na-2H]- 227.06244 145.9
[M]+ 206.08722 144.3
[M]- 206.08832 144.3
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