CID 58165301

41803-21-8

Structural Information

Molecular Formula
C6H11NS
SMILES
CCC1N=C(CS1)C
InChI
InChI=1S/C6H11NS/c1-3-6-7-5(2)4-8-6/h6H,3-4H2,1-2H3
InChIKey
GKTIVNKILASSAW-UHFFFAOYSA-N
Compound name
2-ethyl-4-methyl-2,5-dihydro-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

45
Patents

129.06122 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.06850 124.7
[M+Na]+ 152.05044 133.9
[M-H]- 128.05394 127.6
[M+NH4]+ 147.09504 148.4
[M+K]+ 168.02438 132.6
[M+H-H2O]+ 112.05848 119.5
[M+HCOO]- 174.05942 143.1
[M+CH3COO]- 188.07507 170.6
[M+Na-2H]- 150.03589 126.8
[M]+ 129.06067 126.1
[M]- 129.06177 126.1
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