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 134.9
[M+Na]+ 254.95620 147.6
[M-H]- 230.95970 140.8
[M+NH4]+ 250.00080 158.6
[M+K]+ 270.93014 135.9
[M+H-H2O]+ 214.96424 135.6
[M+HCOO]- 276.96518 150.1
[M+CH3COO]- 290.98083 150.2
[M+Na-2H]- 252.94165 139.6
[M]+ 231.96643 151.8
[M]- 231.96753 151.8
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

No patent data available for this compound.