CID 68201382

4-iodo-2,5-dimethyl-1,3-thiazole

Structural Information

Molecular Formula
C5H6INS
SMILES
CC1=C(N=C(S1)C)I
InChI
InChI=1S/C5H6INS/c1-3-5(6)7-4(2)8-3/h1-2H3
InChIKey
WNEWRJMUTXGEDA-UHFFFAOYSA-N
Compound name
4-iodo-2,5-dimethyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

238.92657 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.93385 128.4
[M+Na]+ 261.91579 132.5
[M-H]- 237.91929 125.2
[M+NH4]+ 256.96039 147.2
[M+K]+ 277.88973 136.6
[M+H-H2O]+ 221.92383 120.0
[M+HCOO]- 283.92477 143.5
[M+CH3COO]- 297.94042 180.2
[M+Na-2H]- 259.90124 119.3
[M]+ 238.92602 128.7
[M]- 238.92712 128.7
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