CID 137701485

4-iodo-1,2-thiazol-3-amine

Structural Information

Molecular Formula
C3H3IN2S
SMILES
C1=C(C(=NS1)N)I
InChI
InChI=1S/C3H3IN2S/c4-2-1-7-6-3(2)5/h1H,(H2,5,6)
InChIKey
VPMRUWUQFREDPC-UHFFFAOYSA-N
Compound name
4-iodo-1,2-thiazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.90617 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.913446 128.6
[M+Na]+ 248.895388 131.7
[M-H]- 224.898894 124.6
[M+NH4]+ 243.939993 146.8
[M+K]+ 264.869328 135.6
[M+H-H2O]+ 208.903430 119.5
[M+HCOO]- 270.904371 144.4
[M+CH3COO]- 284.920021 177.2
[M+Na-2H]- 246.880836 120.1
[M]+ 225.90562142 126.0
[M]- 225.90671858 126.0
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.