CID 43138243

2-(tert-butoxymethyl)-4-(chloromethyl)thiazole

Structural Information

Molecular Formula
C9H14ClNOS
SMILES
CC(C)(C)OCC1=NC(=CS1)CCl
InChI
InChI=1S/C9H14ClNOS/c1-9(2,3)12-5-8-11-7(4-10)6-13-8/h6H,4-5H2,1-3H3
InChIKey
NHUOXFAZAYEQDM-UHFFFAOYSA-N
Compound name
4-(chloromethyl)-2-[(2-methylpropan-2-yl)oxymethyl]-1,3-thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.04846 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.05574 148.1
[M+Na]+ 242.03768 157.9
[M-H]- 218.04118 151.1
[M+NH4]+ 237.08228 169.2
[M+K]+ 258.01162 154.5
[M+H-H2O]+ 202.04572 143.3
[M+HCOO]- 264.04666 161.0
[M+CH3COO]- 278.06231 184.6
[M+Na-2H]- 240.02313 149.9
[M]+ 219.04791 154.4
[M]- 219.04901 154.4
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.