CID 165987263

2-(1-chloro-3-methylbutyl)-1,3-thiazole

Structural Information

Molecular Formula
C8H12ClNS
SMILES
CC(C)CC(C1=NC=CS1)Cl
InChI
InChI=1S/C8H12ClNS/c1-6(2)5-7(9)8-10-3-4-11-8/h3-4,6-7H,5H2,1-2H3
InChIKey
QASIVUHQFCHBGT-UHFFFAOYSA-N
Compound name
2-(1-chloro-3-methylbutyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.0379 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.04518 139.4
[M+Na]+ 212.02712 147.8
[M-H]- 188.03062 142.1
[M+NH4]+ 207.07172 161.1
[M+K]+ 228.00106 144.7
[M+H-H2O]+ 172.03516 134.2
[M+HCOO]- 234.03610 151.8
[M+CH3COO]- 248.05175 180.6
[M+Na-2H]- 210.01257 139.4
[M]+ 189.03735 143.0
[M]- 189.03845 143.0
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.