CID 115048955

2-bromo-5-methyl-4-(oxan-4-yl)-1,3-thiazole

Structural Information

Molecular Formula
C9H12BrNOS
SMILES
CC1=C(N=C(S1)Br)C2CCOCC2
InChI
InChI=1S/C9H12BrNOS/c1-6-8(11-9(10)13-6)7-2-4-12-5-3-7/h7H,2-5H2,1H3
InChIKey
JSEDTDLNQUVZMG-UHFFFAOYSA-N
Compound name
2-bromo-5-methyl-4-(oxan-4-yl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.9823 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.989576 143.6
[M+Na]+ 283.971518 155.5
[M-H]- 259.975024 152.6
[M+NH4]+ 279.016123 164.5
[M+K]+ 299.945458 145.8
[M+H-H2O]+ 243.979560 144.4
[M+HCOO]- 305.980501 157.8
[M+CH3COO]- 319.996151 158.8
[M+Na-2H]- 281.956966 146.9
[M]+ 260.98175142 162.2
[M]- 260.98284858 162.2
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.