CID 23062300

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

Structural Information

Molecular Formula
C3H3IN2S
SMILES
C1=C(N=C(S1)N)I
InChI
InChI=1S/C3H3IN2S/c4-2-1-7-3(5)6-2/h1H,(H2,5,6)
InChIKey
NWAGBIGYWRXBAI-UHFFFAOYSA-N
Compound name
4-iodo-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

225.90617 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.91345 128.6
[M+Na]+ 248.89539 131.7
[M-H]- 224.89889 124.6
[M+NH4]+ 243.93999 146.8
[M+K]+ 264.86933 135.6
[M+H-H2O]+ 208.90343 119.5
[M+HCOO]- 270.90437 144.4
[M+CH3COO]- 284.92002 177.2
[M+Na-2H]- 246.88084 120.1
[M]+ 225.90562 126.0
[M]- 225.90672 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

patents stripe