CID 62142576

4-(chloromethyl)-2-(cyclobutoxymethyl)thiazole

Structural Information

Molecular Formula
C9H12ClNOS
SMILES
C1CC(C1)OCC2=NC(=CS2)CCl
InChI
InChI=1S/C9H12ClNOS/c10-4-7-6-13-9(11-7)5-12-8-2-1-3-8/h6,8H,1-5H2
InChIKey
AUHLUBPAFLIFGY-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-(cyclobutyloxymethyl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.0328 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.04008 134.7
[M+Na]+ 240.02202 141.9
[M-H]- 216.02552 139.9
[M+NH4]+ 235.06662 148.7
[M+K]+ 255.99596 141.2
[M+H-H2O]+ 200.03006 123.8
[M+HCOO]- 262.03100 147.7
[M+CH3COO]- 276.04665 186.3
[M+Na-2H]- 238.00747 136.1
[M]+ 217.03225 147.2
[M]- 217.03335 147.2
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.