CID 16776892

Propan-2-yl 2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetate

Structural Information

Molecular Formula
C9H12ClNO2S
SMILES
CC(C)OC(=O)CC1=NC(=CS1)CCl
InChI
InChI=1S/C9H12ClNO2S/c1-6(2)13-9(12)3-8-11-7(4-10)5-14-8/h5-6H,3-4H2,1-2H3
InChIKey
LHYDYCXHUPTVDM-UHFFFAOYSA-N
Compound name
propan-2-yl 2-[4-(chloromethyl)-1,3-thiazol-2-yl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.02773 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.03501 149.2
[M+Na]+ 256.01695 158.1
[M-H]- 232.02045 152.0
[M+NH4]+ 251.06155 169.2
[M+K]+ 271.99089 155.0
[M+H-H2O]+ 216.02499 143.9
[M+HCOO]- 278.02593 162.0
[M+CH3COO]- 292.04158 186.9
[M+Na-2H]- 254.00240 148.2
[M]+ 233.02718 155.6
[M]- 233.02828 155.6
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.