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]+ 190.045176 139.4
[M+Na]+ 212.027118 147.8
[M-H]- 188.030624 142.1
[M+NH4]+ 207.071723 161.1
[M+K]+ 228.001058 144.7
[M+H-H2O]+ 172.035160 134.2
[M+HCOO]- 234.036101 151.8
[M+CH3COO]- 248.051751 180.6
[M+Na-2H]- 210.012566 139.4
[M]+ 189.03735142 143.0
[M]- 189.03844858 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.