CID 66224102

1-(5-iodo-1,3-thiazol-2-yl)methanamine dihydrochloride

Structural Information

Molecular Formula
C4H5IN2S
SMILES
C1=C(SC(=N1)CN)I
InChI
InChI=1S/C4H5IN2S/c5-3-2-7-4(1-6)8-3/h2H,1,6H2
InChIKey
UFPMVJMSNTYJJO-UHFFFAOYSA-N
Compound name
(5-iodo-1,3-thiazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.92181 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.92909 133.3
[M+Na]+ 262.91103 136.0
[M-H]- 238.91453 129.1
[M+NH4]+ 257.95563 151.0
[M+K]+ 278.88497 139.6
[M+H-H2O]+ 222.91907 124.0
[M+HCOO]- 284.92001 148.8
[M+CH3COO]- 298.93566 180.0
[M+Na-2H]- 260.89648 124.3
[M]+ 239.92126 131.0
[M]- 239.92236 131.0
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.