CID 23398461

100245-79-2

Structural Information

Molecular Formula
C6H8BrNS
SMILES
CC1=C(N=C(S1)C)CBr
InChI
InChI=1S/C6H8BrNS/c1-4-6(3-7)8-5(2)9-4/h3H2,1-2H3
InChIKey
DOICGMYPJGJZJY-UHFFFAOYSA-N
Compound name
4-(bromomethyl)-2,5-dimethyl-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

204.95609 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.96337 127.1
[M+Na]+ 227.94531 142.0
[M-H]- 203.94881 133.5
[M+NH4]+ 222.98991 151.8
[M+K]+ 243.91925 131.1
[M+H-H2O]+ 187.95335 128.2
[M+HCOO]- 249.95429 145.0
[M+CH3COO]- 263.96994 181.9
[M+Na-2H]- 225.93076 131.7
[M]+ 204.95554 148.8
[M]- 204.95664 148.8
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