CID 86336579

(6s)-2-bromo-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine dihydrobromide

Structural Information

Molecular Formula
C7H9BrN2S
SMILES
C1CC2=C(C[C@H]1N)SC(=N2)Br
InChI
InChI=1S/C7H9BrN2S/c8-7-10-5-2-1-4(9)3-6(5)11-7/h4H,1-3,9H2/t4-/m0/s1
InChIKey
BKZWJPJKNKMPQJ-BYPYZUCNSA-N
Compound name
(6S)-2-bromo-4,5,6,7-tetrahydro-1,3-benzothiazol-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.96698 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.97426 134.0
[M+Na]+ 254.95620 135.6
[M+NH4]+ 250.00080 140.3
[M+K]+ 270.93014 135.8
[M-H]- 230.95970 135.1
[M+Na-2H]- 252.94165 135.9
[M]+ 231.96643 133.6
[M]- 231.96753 133.6
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.