CID 66223887

2437650-37-6

Structural Information

Molecular Formula
C5H7BrN2S
SMILES
C1=C(SC(=N1)CCN)Br
InChI
InChI=1S/C5H7BrN2S/c6-4-3-8-5(9-4)1-2-7/h3H,1-2,7H2
InChIKey
UNQIXIIEQJKRPB-UHFFFAOYSA-N
Compound name
2-(5-bromo-1,3-thiazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.95132 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.958596 127.3
[M+Na]+ 228.940538 140.7
[M-H]- 204.944044 132.8
[M+NH4]+ 223.985143 150.9
[M+K]+ 244.914478 129.1
[M+H-H2O]+ 188.948580 127.3
[M+HCOO]- 250.949521 145.7
[M+CH3COO]- 264.965171 181.7
[M+Na-2H]- 226.925986 132.4
[M]+ 205.95077142 146.5
[M]- 205.95186858 146.5
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.