CID 130215225

4-iodo-5-methoxy-2-methyl-1,3-thiazole

Structural Information

Molecular Formula
C5H6INOS
SMILES
CC1=NC(=C(S1)OC)I
InChI
InChI=1S/C5H6INOS/c1-3-7-4(6)5(8-2)9-3/h1-2H3
InChIKey
YQDVUWDGDYHRQD-UHFFFAOYSA-N
Compound name
4-iodo-5-methoxy-2-methyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.92148 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.92876 133.3
[M+Na]+ 277.91070 137.3
[M-H]- 253.91420 130.0
[M+NH4]+ 272.95530 151.4
[M+K]+ 293.88464 141.7
[M+H-H2O]+ 237.91874 124.7
[M+HCOO]- 299.91968 148.6
[M+CH3COO]- 313.93533 182.0
[M+Na-2H]- 275.89615 124.2
[M]+ 254.92093 134.9
[M]- 254.92203 134.9
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

No patent data available for this compound.