CID 4962633

3-(2-bromoethyl)-4-methyl-2,3-dihydro-1,3-thiazol-2-one

Structural Information

Molecular Formula
C6H8BrNOS
SMILES
CC1=CSC(=O)N1CCBr
InChI
InChI=1S/C6H8BrNOS/c1-5-4-10-6(9)8(5)3-2-7/h4H,2-3H2,1H3
InChIKey
ACLIABPJMWUSQB-UHFFFAOYSA-N
Compound name
3-(2-bromoethyl)-4-methyl-1,3-thiazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.951 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.95828 129.5
[M+Na]+ 243.94022 144.4
[M-H]- 219.94372 135.9
[M+NH4]+ 238.98482 153.5
[M+K]+ 259.91416 133.3
[M+H-H2O]+ 203.94826 130.4
[M+HCOO]- 265.94920 147.8
[M+CH3COO]- 279.96485 182.9
[M+Na-2H]- 241.92567 134.1
[M]+ 220.95045 151.9
[M]- 220.95155 151.9
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.