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

73
Patents

191.93568 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.94296 122.7
[M+Na]+ 214.92490 137.3
[M-H]- 190.92840 128.6
[M+NH4]+ 209.96950 147.0
[M+K]+ 230.89884 125.8
[M+H-H2O]+ 174.93294 123.0
[M+HCOO]- 236.93388 141.3
[M+CH3COO]- 250.94953 180.0
[M+Na-2H]- 212.91035 127.6
[M]+ 191.93513 141.9
[M]- 191.93623 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