CID 23088777

2-thiazolemethanamine, 5-bromo-, hydrochloride (1:1)

Structural Information

Molecular Formula
C4H5BrN2S
SMILES
C1=C(SC(=N1)CN)Br
InChI
InChI=1S/C4H5BrN2S/c5-3-2-7-4(1-6)8-3/h2H,1,6H2
InChIKey
SGAFLPBSMPKKCX-UHFFFAOYSA-N
Compound name
(5-bromo-1,3-thiazol-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

191.93568 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.94296 122.9
[M+Na]+ 214.92490 136.7
[M-H]- 190.92840 128.5
[M+NH4]+ 209.96950 147.0
[M+K]+ 230.89884 125.4
[M+H-H2O]+ 174.93294 123.1
[M+HCOO]- 236.93388 141.6
[M+CH3COO]- 250.94953 178.9
[M+Na-2H]- 212.91035 128.5
[M]+ 191.93513 141.8
[M]- 191.93623 141.8
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