CID 79203137

4-(chloromethyl)-2-(2-methoxypropan-2-yl)thiazole

Structural Information

Molecular Formula
C8H12ClNOS
SMILES
CC(C)(C1=NC(=CS1)CCl)OC
InChI
InChI=1S/C8H12ClNOS/c1-8(2,11-3)7-10-6(4-9)5-12-7/h5H,4H2,1-3H3
InChIKey
JQRCTAVCRCUWOZ-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-(2-methoxypropan-2-yl)-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.0328 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.04008 143.4
[M+Na]+ 228.02202 153.5
[M-H]- 204.02552 146.5
[M+NH4]+ 223.06662 164.9
[M+K]+ 243.99596 150.3
[M+H-H2O]+ 188.03006 138.7
[M+HCOO]- 250.03100 156.5
[M+CH3COO]- 264.04665 182.3
[M+Na-2H]- 226.00747 145.6
[M]+ 205.03225 149.4
[M]- 205.03335 149.4
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.