CID 45789612

1209167-05-4

Structural Information

Molecular Formula
C4H5BrN2S
SMILES
CC1=C(N=C(S1)N)Br
InChI
InChI=1S/C4H5BrN2S/c1-2-3(5)7-4(6)8-2/h1H3,(H2,6,7)
InChIKey
KPTFKWPRFDQHJL-UHFFFAOYSA-N
Compound name
4-bromo-5-methyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

191.93568 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.942956 122.7
[M+Na]+ 214.924898 137.3
[M-H]- 190.928404 128.6
[M+NH4]+ 209.969503 147.0
[M+K]+ 230.898838 125.8
[M+H-H2O]+ 174.932940 123.0
[M+HCOO]- 236.933881 141.3
[M+CH3COO]- 250.949531 180.0
[M+Na-2H]- 212.910346 127.6
[M]+ 191.93513142 141.9
[M]- 191.93622858 141.9
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