CID 17750405

1909309-59-6

Structural Information

Molecular Formula
C6H7BrN2S
SMILES
C1CNCC2=C1N=C(S2)Br
InChI
InChI=1S/C6H7BrN2S/c7-6-9-4-1-2-8-3-5(4)10-6/h8H,1-3H2
InChIKey
UIBFPUKBRPPEBC-UHFFFAOYSA-N
Compound name
2-bromo-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

217.95132 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.95860 131.0
[M+Na]+ 240.94054 133.2
[M+NH4]+ 235.98514 137.0
[M+K]+ 256.91448 133.3
[M-H]- 216.94404 130.9
[M+Na-2H]- 238.92599 133.0
[M]+ 217.95077 130.4
[M]- 217.95187 130.4
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