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]+ 261.98958 143.6
[M+Na]+ 283.97152 155.5
[M-H]- 259.97502 152.6
[M+NH4]+ 279.01612 164.5
[M+K]+ 299.94546 145.8
[M+H-H2O]+ 243.97956 144.4
[M+HCOO]- 305.98050 157.8
[M+CH3COO]- 319.99615 158.8
[M+Na-2H]- 281.95697 146.9
[M]+ 260.98175 162.2
[M]- 260.98285 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.