CID 181287

60633-24-1

Structural Information

Molecular Formula
C6H11NS
SMILES
CC1C(=NC(S1)C)C
InChI
InChI=1S/C6H11NS/c1-4-5(2)8-6(3)7-4/h5-6H,1-3H3
InChIKey
AIVVNNYXOSPRCW-UHFFFAOYSA-N
Compound name
2,4,5-trimethyl-2,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

48
Patents

129.06122 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.06850 124.0
[M+Na]+ 152.05044 134.1
[M-H]- 128.05394 127.3
[M+NH4]+ 147.09504 148.0
[M+K]+ 168.02438 132.7
[M+H-H2O]+ 112.05848 119.1
[M+HCOO]- 174.05942 142.3
[M+CH3COO]- 188.07507 171.6
[M+Na-2H]- 150.03589 125.5
[M]+ 129.06067 125.8
[M]- 129.06177 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