CID 108617

54654-71-6

Structural Information

Molecular Formula
C6H12NS
SMILES
CC[N+]1=C(SCC1)C
InChI
InChI=1S/C6H12NS/c1-3-7-4-5-8-6(7)2/h3-5H2,1-2H3/q+1
InChIKey
OBLNPKKGVNWYTK-UHFFFAOYSA-N
Compound name
3-ethyl-2-methyl-4,5-dihydro-1,3-thiazol-3-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

68
Patents

130.06905 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.07633 123.7
[M+Na]+ 153.05827 132.8
[M-H]- 129.06177 127.0
[M+NH4]+ 148.10287 147.1
[M+K]+ 169.03221 126.2
[M+H-H2O]+ 113.06631 121.3
[M+HCOO]- 175.06725 141.9
[M+CH3COO]- 189.08290 164.2
[M+Na-2H]- 151.04372 128.2
[M]+ 130.06850 123.6
[M]- 130.06960 123.6
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

patents stripe