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]+ 240.929086 133.3
[M+Na]+ 262.911028 136.0
[M-H]- 238.914534 129.1
[M+NH4]+ 257.955633 151.0
[M+K]+ 278.884968 139.6
[M+H-H2O]+ 222.919070 124.0
[M+HCOO]- 284.920011 148.8
[M+CH3COO]- 298.935661 180.0
[M+Na-2H]- 260.896476 124.3
[M]+ 239.92126142 131.0
[M]- 239.92235858 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.