CID 2303651

3-methyl-1,3-thiazol-2(3h)-imine hydroiodide

Structural Information

Molecular Formula
C4H6N2S
SMILES
CN1C=CSC1=N
InChI
InChI=1S/C4H6N2S/c1-6-2-3-7-4(6)5/h2-3,5H,1H3
InChIKey
YGUHKHFHVUKJQH-UHFFFAOYSA-N
Compound name
3-methyl-1,3-thiazol-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

32
Patents

114.02517 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.03245 119.9
[M+Na]+ 137.01439 131.1
[M+NH4]+ 132.05899 129.3
[M+K]+ 152.98833 125.1
[M-H]- 113.01789 121.9
[M+Na-2H]- 134.99984 125.8
[M]+ 114.02462 122.4
[M]- 114.02572 122.4
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