CID 21760783

2-bromo-5-methyl-4h,5h,6h,7h-[1,3]thiazolo[4,5-c]pyridine

Structural Information

Molecular Formula
C7H9BrN2S
SMILES
CN1CCC2=C(C1)N=C(S2)Br
InChI
InChI=1S/C7H9BrN2S/c1-10-3-2-6-5(4-10)9-7(8)11-6/h2-4H2,1H3
InChIKey
GKLJWYUFEQPLBO-UHFFFAOYSA-N
Compound name
2-bromo-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

231.96698 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.97426 133.9
[M+Na]+ 254.95620 147.8
[M-H]- 230.95970 139.3
[M+NH4]+ 250.00080 157.2
[M+K]+ 270.93014 137.0
[M+H-H2O]+ 214.96424 134.9
[M+HCOO]- 276.96518 147.9
[M+CH3COO]- 290.98083 149.6
[M+Na-2H]- 252.94165 139.1
[M]+ 231.96643 153.1
[M]- 231.96753 153.1
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