CID 263626

4145-93-1

Structural Information

Molecular Formula
C6H11NS
SMILES
CC1C(SC(=N1)C)C
InChI
InChI=1S/C6H11NS/c1-4-5(2)8-6(3)7-4/h4-5H,1-3H3
InChIKey
CIEKNJJOENYFQL-UHFFFAOYSA-N
Compound name
2,4,5-trimethyl-4,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

78
References

83
Patents

129.06122 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.068496 124.0
[M+Na]+ 152.050438 134.1
[M-H]- 128.053944 127.3
[M+NH4]+ 147.095043 148.0
[M+K]+ 168.024378 132.7
[M+H-H2O]+ 112.058480 119.1
[M+HCOO]- 174.059421 142.3
[M+CH3COO]- 188.075071 171.6
[M+Na-2H]- 150.035886 125.5
[M]+ 129.06067142 125.8
[M]- 129.06176858 125.8
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