CID 13835454

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

Structural Information

Molecular Formula
C5H6INS
SMILES
CC1=C(C(=NS1)C)I
InChI
InChI=1S/C5H6INS/c1-3-5(6)4(2)8-7-3/h1-2H3
InChIKey
DWTDRHHKEYEGRX-UHFFFAOYSA-N
Compound name
4-iodo-3,5-dimethyl-1,2-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

58
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

literature stripe

Patent stripe

patents stripe